N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide

C18H19N3OS — CID 42687275

IUPACN-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1c(-c2ccsc2)n[nH]c1C)c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-3-15(13-7-5-4-6-8-13)18(22)19-16-12(2)20-21-17(16)14-9-10-23-11-14/h4-11,15H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyTXHPDVHMIIRBLZ-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.58
Rot. Bonds5

About N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide

N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide (PubChem CID 42687275) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
PubChem CID42687275
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide
SMILESCCC(C(=O)Nc1c(-c2ccsc2)n[nH]c1C)c1ccccc1
InChIInChI=1S/C18H19N3OS/c1-3-15(13-7-5-4-6-8-13)18(22)19-16-12(2)20-21-17(16)14-9-10-23-11-14/h4-11,15H,3H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyTXHPDVHMIIRBLZ-UHFFFAOYSA-N
XLogP4.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.58
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)propanamide
CID 42874270
(2R)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 95095096
(2S)-2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 95095095
2-phenyl-N-(3-thiophen-3-yl-1,2-oxazol-5-yl)butanamide
CID 53143270
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
3-chloro-N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)benzamide
CID 42874274
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(5-ethyl-3-thiophen-3-yl-1H-pyrazol-4-yl)acetamide
CID 42656651
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005134
N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 42686286
(2S)-N-[5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005130

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide?
The IUPAC name of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide (CID 42687275) is N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide.
What is the SMILES notation for N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide?
The canonical SMILES for N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide is CCC(C(=O)Nc1c(-c2ccsc2)n[nH]c1C)c1ccccc1.
What is the InChIKey of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide?
The InChIKey is TXHPDVHMIIRBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-3-15(13-7-5-4-6-8-13)18(22)19-16-12(2)20-21-17(16)14-9-10-23-11-14/h4-11,15H,3H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide?
N-(5-methyl-3-thiophen-3-yl-1H-pyrazol-4-yl)-2-phenylbutanamide has a molecular weight of 325.44 g/mol, XLogP of 4.58, 5 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)-2-phenylbutanamide is sourced from PubChem (CID 42687275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).