1-[(2-chloro-4-fluorophenyl)methyl]pyrazole

C10H8ClFN2 — CID 63812069

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cn2cccn2)c(Cl)c1
InChIInChI=1S/C10H8ClFN2/c11-10-6-9(12)3-2-8(10)7-14-5-1-4-13-14/h1-6H,7H2
InChIKeyWHVBERHABMQVEE-UHFFFAOYSA-N
MW210.64 g/mol
LogP2.72
Rot. Bonds2

About 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole

1-[(2-chloro-4-fluorophenyl)methyl]pyrazole (PubChem CID 63812069) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]pyrazole
PubChem CID63812069
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cn2cccn2)c(Cl)c1
InChIInChI=1S/C10H8ClFN2/c11-10-6-9(12)3-2-8(10)7-14-5-1-4-13-14/h1-6H,7H2
InChIKeyWHVBERHABMQVEE-UHFFFAOYSA-N
XLogP2.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.64
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tram-34
CID 656734
4-(1-(2,4-dichlorobenzyl)-1H-pyrazol-4-yl)pyridine
CID 4450788
1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazole
CID 661809
1-[(3-Chlorophenyl)methyl]-1H-pyrazol-3-amine
CID 16195077
1-Benzyl-1H-pyrazole
CID 3546441
1-(2-phenylethyl)-1H-pyrazole
CID 11126737
1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine
CID 5200398
2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine
CID 1473523
1-((2-chlorophenyl)methyl)-1H-pyrazol-5-amine
CID 2560633
1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrazol-3-amine
CID 588819
1-(4-chlorobenzyl)-3-cyclopropyl-1H-pyrazole
CID 3797105
3-Cyclopropyl-1-[(2,6-dichlorophenyl)methyl]pyrazole
CID 3832516

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole (CID 63812069) is 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole is Fc1ccc(Cn2cccn2)c(Cl)c1.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole?
The InChIKey is WHVBERHABMQVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c11-10-6-9(12)3-2-8(10)7-14-5-1-4-13-14/h1-6H,7H2.
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole?
1-[(2-chloro-4-fluorophenyl)methyl]pyrazole has a molecular weight of 210.64 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 63812069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).