1-[(2-chloro-5-fluorophenyl)methyl]pyrazole

C10H8ClFN2 — CID 102620264

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

About 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole

1-[(2-chloro-5-fluorophenyl)methyl]pyrazole (PubChem CID 102620264) has the molecular formula C10H8ClFN2 and a molecular weight of 210.64 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
PubChem CID102620264
Molecular FormulaC10H8ClFN2
Molecular Weight210.64 g/mol
Exact Mass210.04
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]pyrazole
SMILESFc1ccc(Cl)c(Cn2cccn2)c1
InChIInChI=1S/C10H8ClFN2/c11-10-3-2-9(12)6-8(10)7-14-5-1-4-13-14/h1-6H,7H2
InChIKeyUQTPCAFBKHJNRN-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

4-[(2-chloro-5-fluorophenyl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 122150903
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-amine
CID 102616038
1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-ol
CID 102622243
[1-[(2-chloro-5-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 102619772
1-[(2-chloro-5-fluorophenyl)methyl]pyrazole-4-sulfonyl chloride
CID 102619521
N-[[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-3-yl]methyl]propan-1-amine
CID 102620396
[1-[(2-chloro-5-fluorophenyl)methyl]triazol-4-yl]methanol
CID 102619773
1-[(4-chloro-3-methoxyphenyl)methyl]pyrazole
CID 167799715
1-[1-[(2-chloro-5-fluorophenyl)methyl]pyrazol-4-yl]propan-2-amine
CID 102620096
7-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 103475124
4-chloro-1-[(2-chloro-5-fluorophenyl)methyl]indole
CID 102620303
1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole (CID 102620264) is 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole is Fc1ccc(Cl)c(Cn2cccn2)c1.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole?
The InChIKey is UQTPCAFBKHJNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN2/c11-10-3-2-9(12)6-8(10)7-14-5-1-4-13-14/h1-6H,7H2.
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]pyrazole?
1-[(2-chloro-5-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-5-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 102620264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).