2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C15H19N3OS — CID 115610359

IUPAC2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCSc1ccc(C)c(C(=O)Nc2cc(C(C)C)[nH]n2)c1
InChIInChI=1S/C15H19N3OS/c1-9(2)13-8-14(18-17-13)16-15(19)12-7-11(20-4)6-5-10(12)3/h5-9H,1-4H3,(H2,16,17,18,19)
InChIKeyHZPSHBPVCKQGQB-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.82
Rot. Bonds4

About 2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 115610359) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID115610359
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCSc1ccc(C)c(C(=O)Nc2cc(C(C)C)[nH]n2)c1
InChIInChI=1S/C15H19N3OS/c1-9(2)13-8-14(18-17-13)16-15(19)12-7-11(20-4)6-5-10(12)3/h5-9H,1-4H3,(H2,16,17,18,19)
InChIKeyHZPSHBPVCKQGQB-UHFFFAOYSA-N
XLogP3.82
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115875333
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 113339737
2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616261
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888
1,5-dimethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrole-2-carboxamide
CID 47404882
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide
CID 113433770
3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 47404893
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 115610359) is 2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is CSc1ccc(C)c(C(=O)Nc2cc(C(C)C)[nH]n2)c1.
What is the InChIKey of 2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is HZPSHBPVCKQGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9(2)13-8-14(18-17-13)16-15(19)12-7-11(20-4)6-5-10(12)3/h5-9H,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 289.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115610359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).