5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile

C12H10ClN3O — CID 63787921

IUPAC5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
SMILESCOc1ccc(-n2nc(C)c(C#N)c2Cl)cc1
InChIInChI=1S/C12H10ClN3O/c1-8-11(7-14)12(13)16(15-8)9-3-5-10(17-2)6-4-9/h3-6H,1-2H3
InChIKeyFSFBSBKCGPIFGZ-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.71
Rot. Bonds2

About 5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile

5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile (PubChem CID 63787921) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
PubChem CID63787921
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
SMILESCOc1ccc(-n2nc(C)c(C#N)c2Cl)cc1
InChIInChI=1S/C12H10ClN3O/c1-8-11(7-14)12(13)16(15-8)9-3-5-10(17-2)6-4-9/h3-6H,1-2H3
InChIKeyFSFBSBKCGPIFGZ-UHFFFAOYSA-N
XLogP2.71
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
3-(4-chlorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 44370636
1-(4-chlorophenyl)-5-methoxy-3-methyl-1H-pyrazole
CID 2318102
1-(4-Methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 67120062
5-[(4-Methoxyanilino)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile
CID 2104000
(NE)-N-[[5-chloro-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-4-yl]methylidene]hydroxylamine
CID 139231079
(4Z)-5-chloro-N-hydroxy-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboximidoyl chloride
CID 139231083
[1-(4-Chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]acetonitrile
CID 86200541
1-(4-methoxyphenyl)-3,5-dimethyl-1H-Pyrazole
CID 13019919
N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}-4-methoxyaniline
CID 1485318
5-(4-Chlorophenyl)-3-(difluoromethyl)-1-(4-methoxyphenyl)pyrazole
CID 11724472
1-(4-Methoxyphenyl)-5-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 18177296

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile (CID 63787921) is 5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile is COc1ccc(-n2nc(C)c(C#N)c2Cl)cc1.
What is the InChIKey of 5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile?
The InChIKey is FSFBSBKCGPIFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-11(7-14)12(13)16(15-8)9-3-5-10(17-2)6-4-9/h3-6H,1-2H3.
What are the key properties of 5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile?
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile has a molecular weight of 247.69 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 63787921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).