(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone

C14H10N2OS — CID 43463443

IUPAC(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H10N2OS/c17-14(11-6-7-18-10-11)12-8-15-16(9-12)13-4-2-1-3-5-13/h1-10H
InChIKeyIBRLKZUPRBVIGA-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.16
Rot. Bonds3

About (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone

(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone (PubChem CID 43463443) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
PubChem CID43463443
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H10N2OS/c17-14(11-6-7-18-10-11)12-8-15-16(9-12)13-4-2-1-3-5-13/h1-10H
InChIKeyIBRLKZUPRBVIGA-UHFFFAOYSA-N
XLogP3.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-phenylpyrazol-4-yl)-(1H-pyrazol-4-yl)methanone
CID 114990512
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
(1-methylpyrazol-4-yl)-thiophen-3-ylmethanone
CID 43463314
(3-methylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 43340191
(5-fluoro-3-pyridinyl)-(1-phenylpyrazol-4-yl)methanone
CID 105081916
(4-chloro-1-methylpyrazol-5-yl)-(1-phenylpyrazol-4-yl)methanone
CID 105132583
1-phenyl-4-thiophen-3-ylpyrazole
CID 78210279
2-bromo-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 43144160
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 105120280
(1-phenylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 10757758
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774

Frequently Asked Questions

What is the IUPAC name of (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone?
The IUPAC name of (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone (CID 43463443) is (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone?
The InChIKey is IBRLKZUPRBVIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-14(11-6-7-18-10-11)12-8-15-16(9-12)13-4-2-1-3-5-13/h1-10H.
What are the key properties of (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone?
(1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone has a molecular weight of 254.31 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylpyrazol-4-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 43463443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).