phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone

C14H10N2OS — CID 2814851

IUPACphenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESO=C(c1ccccc1)n1ccc(-c2cccs2)n1
InChIInChI=1S/C14H10N2OS/c17-14(11-5-2-1-3-6-11)16-9-8-12(15-16)13-7-4-10-18-13/h1-10H
InChIKeyBQNODYQBJLGYJZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.30
Rot. Bonds2

About phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone

phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone (PubChem CID 2814851) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone
PubChem CID2814851
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Namephenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone
SMILESO=C(c1ccccc1)n1ccc(-c2cccs2)n1
InChIInChI=1S/C14H10N2OS/c17-14(11-5-2-1-3-6-11)16-9-8-12(15-16)13-7-4-10-18-13/h1-10H
InChIKeyBQNODYQBJLGYJZ-UHFFFAOYSA-N
XLogP3.30
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methyl-1H-pyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 620226
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529482
3-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(2-thienyl)-2-propen-1-one
CID 6162770
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
Morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2140148
(4-Phenylpiperazin-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2312348
N-[4-(dimethylamino)phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2336084
1-phenyl-N-(pyridin-4-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 5161671
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
5-(1-benzyl-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10470023

Frequently Asked Questions

What is the IUPAC name of phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The IUPAC name of phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone (CID 2814851) is phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone.
What is the SMILES notation for phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The canonical SMILES for phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone is O=C(c1ccccc1)n1ccc(-c2cccs2)n1.
What is the InChIKey of phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone?
The InChIKey is BQNODYQBJLGYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-14(11-5-2-1-3-6-11)16-9-8-12(15-16)13-7-4-10-18-13/h1-10H.
What are the key properties of phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone?
phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone has a molecular weight of 254.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-thiophen-2-ylpyrazol-1-yl)methanone is sourced from PubChem (CID 2814851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).