3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile

C16H9BrClN3 — CID 42624866

IUPAC3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H9BrClN3/c17-13-3-1-11(2-4-13)16-12(9-19)10-21(20-16)15-7-5-14(18)6-8-15/h1-8,10H
InChIKeyLKMQGMFOOLELQG-UHFFFAOYSA-N
MW358.63 g/mol
LogP4.83
Rot. Bonds2

About 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile

3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile (PubChem CID 42624866) has the molecular formula C16H9BrClN3 and a molecular weight of 358.63 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile
PubChem CID42624866
Molecular FormulaC16H9BrClN3
Molecular Weight358.63 g/mol
Exact Mass356.97
IUPAC Name3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1
InChIInChI=1S/C16H9BrClN3/c17-13-3-1-11(2-4-13)16-12(9-19)10-21(20-16)15-7-5-14(18)6-8-15/h1-8,10H
InChIKeyLKMQGMFOOLELQG-UHFFFAOYSA-N
XLogP4.83
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.63
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-1-(4-methylphenyl)pyrazole-4-carbonitrile
CID 42624862
3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazol-4-amine
CID 83216722
3-(4-bromophenyl)-1-methylpyrazole-4-carbonitrile
CID 39096288
1-(4-bromophenyl)-3-methylpyrazole-4-carbonitrile
CID 72545295
1-(3-chlorophenyl)-3-phenylpyrazole-4-carbonitrile
CID 97182239
4-[4-cyano-3-(4-methylphenyl)pyrazol-1-yl]benzoic acid
CID 58003616
2-[3-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]acetonitrile
CID 20542746
3-[1-(4-bromophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]-N-methylpropanamide
CID 164628884
methyl 4-(4-cyano-3-phenylpyrazol-1-yl)benzoate
CID 58003674
3-(4-bromophenyl)-1-(4-methylphenyl)pyrazol-4-amine
CID 83217202
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 4710356

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile (CID 42624866) is 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile is N#Cc1cn(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile?
The InChIKey is LKMQGMFOOLELQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrClN3/c17-13-3-1-11(2-4-13)16-12(9-19)10-21(20-16)15-7-5-14(18)6-8-15/h1-8,10H.
What are the key properties of 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile?
3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile has a molecular weight of 358.63 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-chlorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 42624866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).