(E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine

C15H13N3S — CID 139069969

IUPAC(E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine
SMILESCc1cc(/N=C/c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C15H13N3S/c1-12-10-15(16-11-14-8-5-9-19-14)18(17-12)13-6-3-2-4-7-13/h2-11H,1H3/b16-11+
InChIKeyGHPWDFBFVZRDJK-LFIBNONCSA-N
MW267.36 g/mol
LogP3.99
Rot. Bonds3

About (E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine

(E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine (PubChem CID 139069969) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is (E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine
PubChem CID139069969
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name(E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine
SMILESCc1cc(/N=C/c2cccs2)n(-c2ccccc2)n1
InChIInChI=1S/C15H13N3S/c1-12-10-15(16-11-14-8-5-9-19-14)18(17-12)13-6-3-2-4-7-13/h2-11H,1H3/b16-11+
InChIKeyGHPWDFBFVZRDJK-LFIBNONCSA-N
XLogP3.99
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2735377
3-Methyl-1-(2-thienylmethyl)-1H-pyrazol-5-amine
CID 3154161
1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 16228641
1-phenyl-3-(thiophen-3-yl)-1H-pyrazol-5-amine
CID 43158972
N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)thiophene-2-carboximidamide
CID 2322865
1-Phenyl-3-(2-thienyl)pyrazole
CID 12026713
1-Phenyl-3-methyl-4-(1'-methyl)propylthio-5-aminopyrazole
CID 3082350
5-Amino-1-phenyl-3-(thiophen-2-yl)pyrazole-4-carbonitrile
CID 21860261
1-Phenyl-5-(thiophen-2-yl)-1H-pyrazole
CID 53302143
1-(4-fluorophenyl)-3-(thiophen-2-yl)-1H-pyrazol-5-amine
CID 2742741
1-(4-fluorophenyl)-3,6-dimethyl-4-(2-thienyl)-4H-pyrazolo[5,4-d]1,3-thiazine
CID 16766905
4-Fluoro-3-methyl-1-phenyl-5-thiophen-2-ylpyrazole
CID 53493812

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine?
The IUPAC name of (E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine (CID 139069969) is (E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for (E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for (E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine is Cc1cc(/N=C/c2cccs2)n(-c2ccccc2)n1.
What is the InChIKey of (E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine?
The InChIKey is GHPWDFBFVZRDJK-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13N3S/c1-12-10-15(16-11-14-8-5-9-19-14)18(17-12)13-6-3-2-4-7-13/h2-11H,1H3/b16-11+.
What are the key properties of (E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine?
(E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine has a molecular weight of 267.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-methyl-2-phenylpyrazol-3-yl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 139069969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).