N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide

C12H15N3OS — CID 113322050

IUPACN-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
SMILESCSC(C)CNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H15N3OS/c1-8(17-2)7-13-12(16)11-9-5-3-4-6-10(9)14-15-11/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyKBFJUDNSYJHQDE-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.04
Rot. Bonds4

About N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide

N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide (PubChem CID 113322050) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
PubChem CID113322050
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide
SMILESCSC(C)CNC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C12H15N3OS/c1-8(17-2)7-13-12(16)11-9-5-3-4-6-10(9)14-15-11/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyKBFJUDNSYJHQDE-UHFFFAOYSA-N
XLogP2.04
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(2,3,3-trimethylbutyl)-1H-indazole-3-carboxamide
CID 78966222
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(2-phenylbutyl)-1H-indazole-3-carboxamide
CID 42888594
N-[3-(2-methylpropylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 115605737
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-indazole-3-carboxamide
CID 110889118
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
N-(3-amino-3-oxopropyl)-1H-indazole-3-carboxamide
CID 63081541

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide (CID 113322050) is N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide is CSC(C)CNC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide?
The InChIKey is KBFJUDNSYJHQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-8(17-2)7-13-12(16)11-9-5-3-4-6-10(9)14-15-11/h3-6,8H,7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide?
N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylpropyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 113322050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).