6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine

C58H84N12O4Si — CID 162014645

IUPAC6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine
SMILESCC1(C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1.CN1CCC(C(c2ccccc2)n2cc(N)cn2)CC1.CN1CCC(C(c2ccccc2)n2cc(NC(=O)c3n[nH]c4c3CCC(C)(C)C4)cn2)CC1
InChIInChI=1S/C26H34N6O.C16H22N4.C16H28N2O3Si/c1-26(2)12-9-21-22(15-26)29-30-23(21)25(33)28-20-16-27-32(17-20)24(18-7-5-4-6-8-18)19-10-13-31(3)14-11-19;1-19-9-7-14(8-10-19)16(13-5-3-2-4-6-13)20-12-15(17)11-18-20;1-16(2)7-6-12-13(10-16)18(17-14(12)15(19)20)11-21-8-9-22(3,4)5/h4-8,16-17,19,24H,9-15H2,1-3H3,(H,28,33)(H,29,30);2-6,11-12,14,16H,7-10,17H2,1H3;6-11H2,1-5H3,(H,19,20)
InChIKeyYTYBCTGBDHKTJZ-UHFFFAOYSA-N
MW1041.48 g/mol
LogP10.11
Rot. Bonds14

About 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine

6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine (PubChem CID 162014645) has the molecular formula C58H84N12O4Si and a molecular weight of 1041.48 g/mol. Its IUPAC name is 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine.

Molecular Properties

Compound Name6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine
PubChem CID162014645
Molecular FormulaC58H84N12O4Si
Molecular Weight1041.48 g/mol
Exact Mass1040.65
IUPAC Name6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine
SMILESCC1(C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1.CN1CCC(C(c2ccccc2)n2cc(N)cn2)CC1.CN1CCC(C(c2ccccc2)n2cc(NC(=O)c3n[nH]c4c3CCC(C)(C)C4)cn2)CC1
InChIInChI=1S/C26H34N6O.C16H22N4.C16H28N2O3Si/c1-26(2)12-9-21-22(15-26)29-30-23(21)25(33)28-20-16-27-32(17-20)24(18-7-5-4-6-8-18)19-10-13-31(3)14-11-19;1-19-9-7-14(8-10-19)16(13-5-3-2-4-6-13)20-12-15(17)11-18-20;1-16(2)7-6-12-13(10-16)18(17-14(12)15(19)20)11-21-8-9-22(3,4)5/h4-8,16-17,19,24H,9-15H2,1-3H3,(H,28,33)(H,29,30);2-6,11-12,14,16H,7-10,17H2,1H3;6-11H2,1-5H3,(H,19,20)
InChIKeyYTYBCTGBDHKTJZ-UHFFFAOYSA-N
XLogP10.11
TPSA190.27 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.48
LogP ≤ 510.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine with MolForge

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Related Compounds

6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1,1-dioxothian-3-yl)-phenylmethyl]pyrazol-4-amine;N-[1-[(1,1-dioxothian-3-yl)-phenylmethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 158887953
6,6-dimethyl-N-[1-[oxan-4-yl(pyridin-3-yl)methyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[oxan-4-yl(pyridin-3-yl)methyl]pyrazol-4-amine
CID 159867358
1-[2-(4-aminopyrazol-1-yl)-2-phenylethyl]pyrrolidin-2-one;6,6-dimethyl-N-[1-[2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
CID 158784388
1-[3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-amine;N-[1-[3-(dimethylamino)-1-(3-methylphenyl)propyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid
CID 160942325
N-[1-(2-hydroxy-1-phenylethyl)pyrazol-4-yl]-6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxamide
CID 131742689
6,6-dimethyl-N-[1-[(1-methylsulfonylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037409
1-benzylpyrazol-4-amine;N-(1-benzylpyrazol-4-yl)-2'-oxospiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxamide;2'-methyl-1-(2-trimethylsilylethoxymethyl)spiro[5,7-dihydro-4H-indazole-6,1'-cyclopentane]-3-carboxylic acid
CID 159232177
N-[1-[(1,1-dihydroxy-1,4-thiazinan-2-yl)-phenylmethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 118116590
6,6-dimethyl-N-[1-[(1-methylsulfonylazetidin-3-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 73293239
N-[1-(3-amino-1-phenylpropyl)pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90037626
6,6-dimethyl-N-[1-[(1-oxothian-4-yl)-pyridin-3-ylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90036819
N-[1-[azetidin-3-yl-(3-methylphenyl)methyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 73293241

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine?
The IUPAC name of 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine (CID 162014645) is 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine.
What is the SMILES notation for 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine?
The canonical SMILES for 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine is CC1(C)CCc2c(C(=O)O)nn(COCC[Si](C)(C)C)c2C1.CN1CCC(C(c2ccccc2)n2cc(N)cn2)CC1.CN1CCC(C(c2ccccc2)n2cc(NC(=O)c3n[nH]c4c3CCC(C)(C)C4)cn2)CC1.
What is the InChIKey of 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine?
The InChIKey is YTYBCTGBDHKTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O.C16H22N4.C16H28N2O3Si/c1-26(2)12-9-21-22(15-26)29-30-23(21)25(33)28-20-16-27-32(17-20)24(18-7-5-4-6-8-18)19-10-13-31(3)14-11-19;1-19-9-7-14(8-10-19)16(13-5-3-2-4-6-13)20-12-15(17)11-18-20;1-16(2)7-6-12-13(10-16)18(17-14(12)15(19)20)11-21-8-9-22(3,4)5/h4-8,16-17,19,24H,9-15H2,1-3H3,(H,28,33)(H,29,30);2-6,11-12,14,16H,7-10,17H2,1H3;6-11H2,1-5H3,(H,19,20).
What are the key properties of 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine?
6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine has a molecular weight of 1041.48 g/mol, XLogP of 10.11, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-N-[1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-yl]-1,4,5,7-tetrahydroindazole-3-carboxamide;6,6-dimethyl-1-(2-trimethylsilylethoxymethyl)-5,7-dihydro-4H-indazole-3-carboxylic acid;1-[(1-methylpiperidin-4-yl)-phenylmethyl]pyrazol-4-amine is sourced from PubChem (CID 162014645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).