5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile

C14H12ClN3O — CID 114798809

IUPAC5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile
SMILESCOc1cccc(-n2nc(C3CC3)c(C#N)c2Cl)c1
InChIInChI=1S/C14H12ClN3O/c1-19-11-4-2-3-10(7-11)18-14(15)12(8-16)13(17-18)9-5-6-9/h2-4,7,9H,5-6H2,1H3
InChIKeyOFTBQXLVTWBSAH-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.28
Rot. Bonds3

About 5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile

5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile (PubChem CID 114798809) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile
PubChem CID114798809
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile
SMILESCOc1cccc(-n2nc(C3CC3)c(C#N)c2Cl)c1
InChIInChI=1S/C14H12ClN3O/c1-19-11-4-2-3-10(7-11)18-14(15)12(8-16)13(17-18)9-5-6-9/h2-4,7,9H,5-6H2,1H3
InChIKeyOFTBQXLVTWBSAH-UHFFFAOYSA-N
XLogP3.28
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-cyclopropyl-1-(3-fluorophenyl)pyrazole-4-carbonitrile
CID 63788275
5-chloro-1-(4-methoxyphenyl)-3-methylpyrazole-4-carbonitrile
CID 63787921
5-amino-1-(3-methoxyphenyl)-3-pyrrolidin-1-ylpyrazole-4-carbonitrile
CID 102796870
5-chloro-1-(3-chlorophenyl)-3-cyclopropylpyrazole-4-carboxylic acid
CID 63354074
3-chloro-2-(3-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 114798880
2-(3-methoxyphenyl)pyrazole-3-carbonitrile
CID 105452002
5-chloro-1-(3-chlorophenyl)-3-propan-2-ylpyrazole-4-carbonitrile
CID 63788951
5-chloro-3-cyclopropyl-1-(4-methoxyphenyl)pyrazole-4-sulfonyl chloride
CID 82916844
5-chloro-4-(chloromethyl)-1-(3-methoxyphenyl)-3-(trifluoromethyl)pyrazole
CID 114798549
5-cyclopropyl-3,4-dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazole
CID 143749362
5-[4-(3-methoxyphenyl)piperazin-1-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 3622381
1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
CID 94962126

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile (CID 114798809) is 5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile is COc1cccc(-n2nc(C3CC3)c(C#N)c2Cl)c1.
What is the InChIKey of 5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile?
The InChIKey is OFTBQXLVTWBSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-11-4-2-3-10(7-11)18-14(15)12(8-16)13(17-18)9-5-6-9/h2-4,7,9H,5-6H2,1H3.
What are the key properties of 5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile?
5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-1-(3-methoxyphenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 114798809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).