N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide

C16H19N5O — CID 49217845

IUPACN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
SMILESCC(C)Cc1cc(NC(=O)c2n[nH]c3ccccc23)n(C)n1
InChIInChI=1S/C16H19N5O/c1-10(2)8-11-9-14(21(3)20-11)17-16(22)15-12-6-4-5-7-13(12)18-19-15/h4-7,9-10H,8H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyQROSTZXFAMIKAT-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.75
Rot. Bonds4

About N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide

N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide (PubChem CID 49217845) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
PubChem CID49217845
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide
SMILESCC(C)Cc1cc(NC(=O)c2n[nH]c3ccccc23)n(C)n1
InChIInChI=1S/C16H19N5O/c1-10(2)8-11-9-14(21(3)20-11)17-16(22)15-12-6-4-5-7-13(12)18-19-15/h4-7,9-10H,8H2,1-3H3,(H,17,22)(H,18,19)
InChIKeyQROSTZXFAMIKAT-UHFFFAOYSA-N
XLogP2.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1H-indazole-3-carboxamide
CID 29182775
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
CID 113322050
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-4-oxo-1H-cinnoline-3-carboxamide
CID 126785760
N-(3-acetamidophenyl)-1H-indazole-3-carboxamide
CID 9114494
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
N-(2-ethoxyphenyl)-1H-indazole-3-carboxamide
CID 16866355
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide (CID 49217845) is N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide is CC(C)Cc1cc(NC(=O)c2n[nH]c3ccccc23)n(C)n1.
What is the InChIKey of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide?
The InChIKey is QROSTZXFAMIKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-10(2)8-11-9-14(21(3)20-11)17-16(22)15-12-6-4-5-7-13(12)18-19-15/h4-7,9-10H,8H2,1-3H3,(H,17,22)(H,18,19).
What are the key properties of N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide?
N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 49217845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).