6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C20H24N6O — CID 166362139

IUPAC6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3n[nH]c4c3CCC(N)C4)cc2)n1
InChIInChI=1S/C20H24N6O/c1-12-9-13(2)26(25-12)16-6-3-14(4-7-16)11-22-20(27)19-17-8-5-15(21)10-18(17)23-24-19/h3-4,6-7,9,15H,5,8,10-11,21H2,1-2H3,(H,22,27)(H,23,24)
InChIKeySMDKYAPBWVZUAP-UHFFFAOYSA-N
MW364.45 g/mol
LogP1.96
Rot. Bonds4

About 6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 166362139) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID166362139
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(CNC(=O)c3n[nH]c4c3CCC(N)C4)cc2)n1
InChIInChI=1S/C20H24N6O/c1-12-9-13(2)26(25-12)16-6-3-14(4-7-16)11-22-20(27)19-17-8-5-15(21)10-18(17)23-24-19/h3-4,6-7,9,15H,5,8,10-11,21H2,1-2H3,(H,22,27)(H,23,24)
InChIKeySMDKYAPBWVZUAP-UHFFFAOYSA-N
XLogP1.96
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 91832695
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CID 2588629
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CID 26251280
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CID 44667187
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CID 119537934
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
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4-(3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of 6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 166362139) is 6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for 6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is Cc1cc(C)n(-c2ccc(CNC(=O)c3n[nH]c4c3CCC(N)C4)cc2)n1.
What is the InChIKey of 6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is SMDKYAPBWVZUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12-9-13(2)26(25-12)16-6-3-14(4-7-16)11-22-20(27)19-17-8-5-15(21)10-18(17)23-24-19/h3-4,6-7,9,15H,5,8,10-11,21H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 166362139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).