5-chloro-1-phenylpyrazole-4-carbonitrile

C10H6ClN3 — CID 46741285

IUPAC5-chloro-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C10H6ClN3/c11-10-8(6-12)7-13-14(10)9-4-2-1-3-5-9/h1-5,7H
InChIKeyPUSZKFPOUNLXFN-UHFFFAOYSA-N
MW203.63 g/mol
LogP2.40
Rot. Bonds1

About 5-chloro-1-phenylpyrazole-4-carbonitrile

5-chloro-1-phenylpyrazole-4-carbonitrile (PubChem CID 46741285) has the molecular formula C10H6ClN3 and a molecular weight of 203.63 g/mol. Its IUPAC name is 5-chloro-1-phenylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-phenylpyrazole-4-carbonitrile
PubChem CID46741285
Molecular FormulaC10H6ClN3
Molecular Weight203.63 g/mol
Exact Mass203.03
IUPAC Name5-chloro-1-phenylpyrazole-4-carbonitrile
SMILESN#Cc1cnn(-c2ccccc2)c1Cl
InChIInChI=1S/C10H6ClN3/c11-10-8(6-12)7-13-14(10)9-4-2-1-3-5-9/h1-5,7H
InChIKeyPUSZKFPOUNLXFN-UHFFFAOYSA-N
XLogP2.40
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 639097
5-Amino-1-(3-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 734496
1-Phenylpyrazole
CID 70769
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
1-Phenyl-3-(trichloromethyl)pyrazole
CID 297290
3-(1H-Pyrazol-1-yl)benzonitrile
CID 7164581
5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile
CID 12366038
2-(1-phenyl-1H-pyrazol-4-yl)ethan-1-amine
CID 6484139
2-(1H-pyrazol-1-yl)benzonitrile
CID 7164558
4-(1-Pyrazolyl)benzonitrile
CID 12079629
1-(3-chlorophenyl)-1H-pyrazole
CID 12238133
4-Chloro-1-phenylpyrazole
CID 601137

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-phenylpyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-phenylpyrazole-4-carbonitrile (CID 46741285) is 5-chloro-1-phenylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-phenylpyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-phenylpyrazole-4-carbonitrile is N#Cc1cnn(-c2ccccc2)c1Cl.
What is the InChIKey of 5-chloro-1-phenylpyrazole-4-carbonitrile?
The InChIKey is PUSZKFPOUNLXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3/c11-10-8(6-12)7-13-14(10)9-4-2-1-3-5-9/h1-5,7H.
What are the key properties of 5-chloro-1-phenylpyrazole-4-carbonitrile?
5-chloro-1-phenylpyrazole-4-carbonitrile has a molecular weight of 203.63 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-phenylpyrazole-4-carbonitrile is sourced from PubChem (CID 46741285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).