N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide

C15H19N3OS — CID 78864779

IUPACN-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
SMILESCCCCn1nccc1NC(=O)c1ccc(SC)cc1
InChIInChI=1S/C15H19N3OS/c1-3-4-11-18-14(9-10-16-18)17-15(19)12-5-7-13(20-2)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyIQDOOYCPPYQVRL-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.66
Rot. Bonds6

About N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide

N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide (PubChem CID 78864779) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
PubChem CID78864779
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide
SMILESCCCCn1nccc1NC(=O)c1ccc(SC)cc1
InChIInChI=1S/C15H19N3OS/c1-3-4-11-18-14(9-10-16-18)17-15(19)12-5-7-13(20-2)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,17,19)
InChIKeyIQDOOYCPPYQVRL-UHFFFAOYSA-N
XLogP3.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938
N-(2-butylpyrazol-3-yl)-2-chloroacetamide
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4-(4-acetylpiperazin-1-yl)sulfonyl-N-(2-butylpyrazol-3-yl)benzamide
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N-(2-butylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 47182837
1-butyl-3-(2-butylpyrazol-3-yl)urea
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N-(2-butylpyrazol-3-yl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 55674727
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 78820639
4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35327495
N-(2-butylpyrazol-3-yl)piperidine-4-carboxamide
CID 119286988
N-(2-butylpyrazol-3-yl)-3-(thiophen-2-ylmethoxy)benzamide
CID 55674829
N-(2-butylpyrazol-3-yl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 60557713
N-(2-butan-2-ylpyrazol-3-yl)-4-(difluoromethylsulfanyl)benzamide
CID 134025818

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide (CID 78864779) is N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide is CCCCn1nccc1NC(=O)c1ccc(SC)cc1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide?
The InChIKey is IQDOOYCPPYQVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-4-11-18-14(9-10-16-18)17-15(19)12-5-7-13(20-2)8-6-12/h5-10H,3-4,11H2,1-2H3,(H,17,19).
What are the key properties of N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide?
N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide has a molecular weight of 289.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 78864779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).