1-(4-chloro-2-fluorophenyl)pyrazole

C9H6ClFN2 — CID 146035167

IUPAC1-(4-chloro-2-fluorophenyl)pyrazole
SMILESFc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C9H6ClFN2/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-6H
InChIKeyQVUKCOJXRSREAG-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.66
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)pyrazole

1-(4-chloro-2-fluorophenyl)pyrazole (PubChem CID 146035167) has the molecular formula C9H6ClFN2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)pyrazole.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)pyrazole
PubChem CID146035167
Molecular FormulaC9H6ClFN2
Molecular Weight196.61 g/mol
Exact Mass196.02
IUPAC Name1-(4-chloro-2-fluorophenyl)pyrazole
SMILESFc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C9H6ClFN2/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-6H
InChIKeyQVUKCOJXRSREAG-UHFFFAOYSA-N
XLogP2.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Phenyl-3-propyl-pyrazole
CID 57320331
1-Phenylpyrazole
CID 70769
3-methyl-1-phenyl-1H-pyrazole
CID 70783
1-Phenyl-3-(trichloromethyl)pyrazole
CID 297290
1-[(1-(4-Chlorophenyl)-1H-pyrazol-4-yl)methyl]-4-phenylpiperazine
CID 11624518
1-(3-Chlorophenyl)pyrazole-4-boronic acid
CID 46738677
1-(3-chlorophenyl)-1H-pyrazole
CID 12238133
1-(4-fluorophenyl)-1H-pyrazole
CID 19937184
1-(4-Chlorophenyl)-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 44412494
1-(4-Chlorophenyl)-4-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 46228536
N-(2-chloropyrrol-1-yl)-N-methylpyridin-4-amine
CID 10536326
N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine
CID 10585860

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)pyrazole?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)pyrazole (CID 146035167) is 1-(4-chloro-2-fluorophenyl)pyrazole.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)pyrazole?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)pyrazole is Fc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)pyrazole?
The InChIKey is QVUKCOJXRSREAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2/c10-7-2-3-9(8(11)6-7)13-5-1-4-12-13/h1-6H.
What are the key properties of 1-(4-chloro-2-fluorophenyl)pyrazole?
1-(4-chloro-2-fluorophenyl)pyrazole has a molecular weight of 196.61 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)pyrazole is sourced from PubChem (CID 146035167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).