3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide

C44H39Cl2N15O4 — CID 144857820

IUPAC3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)n1.Cn1nc(C2CC2)cc1NC(=O)c1cccc(-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c1
InChIInChI=1S/C24H22ClN7O2.C20H17ClN8O2/c1-31-22(12-21(30-31)15-9-10-15)29-23(33)16-5-4-6-18(11-16)32-14-17(13-26-32)27-24(34)28-20-8-3-2-7-19(20)25;1-28-12-22-19(27-28)26-18(30)13-5-4-6-15(9-13)29-11-14(10-23-29)24-20(31)25-17-8-3-2-7-16(17)21/h2-8,11-15H,9-10H2,1H3,(H,29,33)(H2,27,28,34);2-12H,1H3,(H2,24,25,31)(H,26,27,30)
InChIKeyDAYDMLRNRATRSA-UHFFFAOYSA-N
MW912.80 g/mol
LogP8.58
Rot. Bonds11

About 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide

3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 144857820) has the molecular formula C44H39Cl2N15O4 and a molecular weight of 912.80 g/mol. Its IUPAC name is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
PubChem CID144857820
Molecular FormulaC44H39Cl2N15O4
Molecular Weight912.80 g/mol
Exact Mass911.27
IUPAC Name3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide
SMILESCn1cnc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)n1.Cn1nc(C2CC2)cc1NC(=O)c1cccc(-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c1
InChIInChI=1S/C24H22ClN7O2.C20H17ClN8O2/c1-31-22(12-21(30-31)15-9-10-15)29-23(33)16-5-4-6-18(11-16)32-14-17(13-26-32)27-24(34)28-20-8-3-2-7-19(20)25;1-28-12-22-19(27-28)26-18(30)13-5-4-6-15(9-13)29-11-14(10-23-29)24-20(31)25-17-8-3-2-7-16(17)21/h2-8,11-15H,9-10H2,1H3,(H,29,33)(H2,27,28,34);2-12H,1H3,(H2,24,25,31)(H,26,27,30)
InChIKeyDAYDMLRNRATRSA-UHFFFAOYSA-N
XLogP8.58
TPSA224.63 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500912.80
LogP ≤ 58.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide (CID 144857820) is 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide is Cn1cnc(NC(=O)c2cccc(-n3cc(NC(=O)Nc4ccccc4Cl)cn3)c2)n1.Cn1nc(C2CC2)cc1NC(=O)c1cccc(-n2cc(NC(=O)Nc3ccccc3Cl)cn2)c1.
What is the InChIKey of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is DAYDMLRNRATRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O2.C20H17ClN8O2/c1-31-22(12-21(30-31)15-9-10-15)29-23(33)16-5-4-6-18(11-16)32-14-17(13-26-32)27-24(34)28-20-8-3-2-7-19(20)25;1-28-12-22-19(27-28)26-18(30)13-5-4-6-15(9-13)29-11-14(10-23-29)24-20(31)25-17-8-3-2-7-16(17)21/h2-8,11-15H,9-10H2,1H3,(H,29,33)(H2,27,28,34);2-12H,1H3,(H2,24,25,31)(H,26,27,30).
What are the key properties of 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide?
3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 912.80 g/mol, XLogP of 8.58, 11 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(3-cyclopropyl-1-methylpyrazol-5-yl)benzamide;3-[4-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-(1-methyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 144857820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).