N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide

C11H13N3OS — CID 42874270

IUPACN-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(-c2ccsc2)n[nH]c1C
InChIInChI=1S/C11H13N3OS/c1-3-9(15)12-10-7(2)13-14-11(10)8-4-5-16-6-8/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyZKZZIZJLAOTJRN-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.80
Rot. Bonds3

About N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide

N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide (PubChem CID 42874270) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide
PubChem CID42874270
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide
SMILESCCC(=O)Nc1c(-c2ccsc2)n[nH]c1C
InChIInChI=1S/C11H13N3OS/c1-3-9(15)12-10-7(2)13-14-11(10)8-4-5-16-6-8/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyZKZZIZJLAOTJRN-UHFFFAOYSA-N
XLogP2.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
CID 42687275
1-(4-chlorophenyl)-3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)urea
CID 42687523
3,5-difluoro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42687284
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide
CID 42656651
3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42874274
N-(3,5-diphenyl-1H-pyrazol-4-yl)propanamide
CID 42687176
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-methoxybenzamide
CID 42687302
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)acetamide
CID 10846347
2-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42687579
2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide
CID 22260870
methyl 3-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanimidate
CID 121212465
N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)benzamide
CID 14183157

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide (CID 42874270) is N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide is CCC(=O)Nc1c(-c2ccsc2)n[nH]c1C.
What is the InChIKey of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide?
The InChIKey is ZKZZIZJLAOTJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-3-9(15)12-10-7(2)13-14-11(10)8-4-5-16-6-8/h4-6H,3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide?
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide has a molecular weight of 235.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 42874270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).