6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide

C19H27N3O — CID 129128045

IUPAC6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc2c(C(=O)NC(C)CCC3CCC(C)C3)n[nH]c2c1
InChIInChI=1S/C19H27N3O/c1-12-4-7-15(10-12)8-6-14(3)20-19(23)18-16-9-5-13(2)11-17(16)21-22-18/h5,9,11-12,14-15H,4,6-8,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyFUOAJBPVWOCACQ-UHFFFAOYSA-N
MW313.44 g/mol
LogP4.21
Rot. Bonds5

About 6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide

6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 129128045) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide
PubChem CID129128045
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide
SMILESCc1ccc2c(C(=O)NC(C)CCC3CCC(C)C3)n[nH]c2c1
InChIInChI=1S/C19H27N3O/c1-12-4-7-15(10-12)8-6-14(3)20-19(23)18-16-9-5-13(2)11-17(16)21-22-18/h5,9,11-12,14-15H,4,6-8,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyFUOAJBPVWOCACQ-UHFFFAOYSA-N
XLogP4.21
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-[1-(4-methylcyclohexyl)propan-2-yl]-1H-indazole-3-carboxamide
CID 129127696
N-[(2R)-2-bicyclo[2.2.2]octanyl]-6-methyl-1H-indazole-3-carboxamide
CID 129127830
N-(1-hydroxypropan-2-yl)-5-methyl-1H-indazole-3-carboxamide
CID 110888660
N-(cyclopropylmethyl)-5-methyl-1H-indazole-3-carboxamide
CID 78869607
N-[4-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butan-2-yl]-5-methyl-1H-indazole-3-carboxamide
CID 69028107
5-amino-N-(3-methylcyclopentyl)-1H-indazole-3-carboxamide
CID 114542564
N-[2-(4-methylcyclohexyl)ethyl]-1H-indazole-3-carboxamide
CID 64982746
N-[(1R)-2-amino-1-cyclopropylethyl]-5-methyl-1H-indazole-3-carboxamide
CID 124698938
5-amino-N-(2,4-dimethylcyclohexyl)-1H-indazole-3-carboxamide
CID 63996231
5-amino-N-(4-hydroxybutan-2-yl)-1H-indazole-3-carboxamide
CID 83176979
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
CID 52777916
5-methyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1H-indazole-3-carboxamide
CID 86846020

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide (CID 129128045) is 6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide is Cc1ccc2c(C(=O)NC(C)CCC3CCC(C)C3)n[nH]c2c1.
What is the InChIKey of 6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is FUOAJBPVWOCACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-12-4-7-15(10-12)8-6-14(3)20-19(23)18-16-9-5-13(2)11-17(16)21-22-18/h5,9,11-12,14-15H,4,6-8,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide?
6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 313.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[4-(3-methylcyclopentyl)butan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 129128045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).