5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C92H77Cl5N22O13 — CID 159655267

IUPAC5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1.Cc1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1.Nc1[nH]ncc1C(=O)Nc1ccccc1Cl.O=C(O)c1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1
InChIInChI=1S/C29H28ClN5O4.C25H20ClN5O4.C14H9ClN4O3.C14H11ClN4O.C10H9ClN4O/c1-16-18-11-12-23(20(18)10-9-19(16)28(38)39-29(2,3)4)33-26(36)17-13-31-25-21(14-32-35(25)15-17)27(37)34-24-8-6-5-7-22(24)30;1-13-15-8-9-20(17(15)7-6-16(13)25(34)35)29-23(32)14-10-27-22-18(11-28-31(22)12-14)24(33)30-21-5-3-2-4-19(21)26;15-10-3-1-2-4-11(10)18-13(20)9-6-17-19-7-8(14(21)22)5-16-12(9)19;1-9-6-16-13-10(7-17-19(13)8-9)14(20)18-12-5-3-2-4-11(12)15;11-7-3-1-2-4-8(7)14-10(16)6-5-13-15-9(6)12/h5-10,13-15,23H,11-12H2,1-4H3,(H,33,36)(H,34,37);2-7,10-12,20H,8-9H2,1H3,(H,29,32)(H,30,33)(H,34,35);1-7H,(H,18,20)(H,21,22);2-8H,1H3,(H,18,20);1-5H,(H,14,16)(H3,12,13,15)/t23-;20-;;;/m00.../s1
InChIKeyMSBZSQZSLVFMHZ-WBKKLNTPSA-N
MW1876.03 g/mol
LogP16.55
Rot. Bonds17

About 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 159655267) has the molecular formula C92H77Cl5N22O13 and a molecular weight of 1876.03 g/mol. Its IUPAC name is 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID159655267
Molecular FormulaC92H77Cl5N22O13
Molecular Weight1876.03 g/mol
Exact Mass1872.45
IUPAC Name5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1.Cc1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1.Nc1[nH]ncc1C(=O)Nc1ccccc1Cl.O=C(O)c1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1
InChIInChI=1S/C29H28ClN5O4.C25H20ClN5O4.C14H9ClN4O3.C14H11ClN4O.C10H9ClN4O/c1-16-18-11-12-23(20(18)10-9-19(16)28(38)39-29(2,3)4)33-26(36)17-13-31-25-21(14-32-35(25)15-17)27(37)34-24-8-6-5-7-22(24)30;1-13-15-8-9-20(17(15)7-6-16(13)25(34)35)29-23(32)14-10-27-22-18(11-28-31(22)12-14)24(33)30-21-5-3-2-4-19(21)26;15-10-3-1-2-4-11(10)18-13(20)9-6-17-19-7-8(14(21)22)5-16-12(9)19;1-9-6-16-13-10(7-17-19(13)8-9)14(20)18-12-5-3-2-4-11(12)15;11-7-3-1-2-4-8(7)14-10(16)6-5-13-15-9(6)12/h5-10,13-15,23H,11-12H2,1-4H3,(H,33,36)(H,34,37);2-7,10-12,20H,8-9H2,1H3,(H,29,32)(H,30,33)(H,34,35);1-7H,(H,18,20)(H,21,22);2-8H,1H3,(H,18,20);1-5H,(H,14,16)(H3,12,13,15)/t23-;20-;;;/m00.../s1
InChIKeyMSBZSQZSLVFMHZ-WBKKLNTPSA-N
XLogP16.55
TPSA480.06 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds17
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001876.03
LogP ≤ 516.55
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 159655267) is 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1c(C(=O)O)ccc2c1CC[C@@H]2NC(=O)c1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1.Cc1c(C(=O)OC(C)(C)C)ccc2c1CC[C@@H]2NC(=O)c1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1.Cc1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1.Nc1[nH]ncc1C(=O)Nc1ccccc1Cl.O=C(O)c1cnc2c(C(=O)Nc3ccccc3Cl)cnn2c1.
What is the InChIKey of 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MSBZSQZSLVFMHZ-WBKKLNTPSA-N. The full InChI is InChI=1S/C29H28ClN5O4.C25H20ClN5O4.C14H9ClN4O3.C14H11ClN4O.C10H9ClN4O/c1-16-18-11-12-23(20(18)10-9-19(16)28(38)39-29(2,3)4)33-26(36)17-13-31-25-21(14-32-35(25)15-17)27(37)34-24-8-6-5-7-22(24)30;1-13-15-8-9-20(17(15)7-6-16(13)25(34)35)29-23(32)14-10-27-22-18(11-28-31(22)12-14)24(33)30-21-5-3-2-4-19(21)26;15-10-3-1-2-4-11(10)18-13(20)9-6-17-19-7-8(14(21)22)5-16-12(9)19;1-9-6-16-13-10(7-17-19(13)8-9)14(20)18-12-5-3-2-4-11(12)15;11-7-3-1-2-4-8(7)14-10(16)6-5-13-15-9(6)12/h5-10,13-15,23H,11-12H2,1-4H3,(H,33,36)(H,34,37);2-7,10-12,20H,8-9H2,1H3,(H,29,32)(H,30,33)(H,34,35);1-7H,(H,18,20)(H,21,22);2-8H,1H3,(H,18,20);1-5H,(H,14,16)(H3,12,13,15)/t23-;20-;;;/m00.../s1.
What are the key properties of 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1876.03 g/mol, XLogP of 16.55, 17 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-chlorophenyl)-1H-pyrazole-4-carboxamide;tert-butyl (1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylate;(1S)-1-[[3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carbonyl]amino]-4-methyl-2,3-dihydro-1H-indene-5-carboxylic acid;3-[(2-chlorophenyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxylic acid;N-(2-chlorophenyl)-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 159655267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).