N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide

C14H11N3O2S — CID 53383741

IUPACN-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1c(-c2ccccc2)[nH][nH]c1=O)c1cccs1
InChIInChI=1S/C14H11N3O2S/c18-13(10-7-4-8-20-10)15-12-11(16-17-14(12)19)9-5-2-1-3-6-9/h1-8H,(H,15,18)(H2,16,17,19)
InChIKeyPEIMRRMULWCSEE-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.68
Rot. Bonds3

About N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide

N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide (PubChem CID 53383741) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide
PubChem CID53383741
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC NameN-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1c(-c2ccccc2)[nH][nH]c1=O)c1cccs1
InChIInChI=1S/C14H11N3O2S/c18-13(10-7-4-8-20-10)15-12-11(16-17-14(12)19)9-5-2-1-3-6-9/h1-8H,(H,15,18)(H2,16,17,19)
InChIKeyPEIMRRMULWCSEE-UHFFFAOYSA-N
XLogP2.68
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 790437
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CID 2179888
N-[1-(hydrazinocarbonyl)-2-(2-thienyl)vinyl]benzamide
CID 1678442
Cambridge id 6060023
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N-(4-Methylphenyl)-1-[N'-(thiophene-2-carbonyl)hydrazinecarbonyl]formamide
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CID 3108602
N'-cinnamoyl-2-thiophenecarbohydrazide
CID 809415
3-methyl-N-[4-methylsulfanyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 4792354
2-fluoro-N-[(2S)-3-methyl-1-oxo-1-[2-(thiophene-2-carbonyl)hydrazinyl]butan-2-yl]benzamide
CID 7999523
N'-(2-phenylacetyl)-2-thiophenecarbohydrazide
CID 691947
2-chloro-N-[(1Z)-3-hydrazinyl-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]benzamide
CID 5755005

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide (CID 53383741) is N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide is O=C(Nc1c(-c2ccccc2)[nH][nH]c1=O)c1cccs1.
What is the InChIKey of N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide?
The InChIKey is PEIMRRMULWCSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S/c18-13(10-7-4-8-20-10)15-12-11(16-17-14(12)19)9-5-2-1-3-6-9/h1-8H,(H,15,18)(H2,16,17,19).
What are the key properties of N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide?
N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide has a molecular weight of 285.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53383741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).