[5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol

C12H12ClFN2O2 — CID 55062740

IUPAC[5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol
SMILESCOCc1nn(-c2cccc(F)c2)c(Cl)c1CO
InChIInChI=1S/C12H12ClFN2O2/c1-18-7-11-10(6-17)12(13)16(15-11)9-4-2-3-8(14)5-9/h2-5,17H,6-7H2,1H3
InChIKeyKAPJCCJRWPFTSB-UHFFFAOYSA-N
MW270.69 g/mol
LogP2.30
Rot. Bonds4

About [5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol

[5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol (PubChem CID 55062740) has the molecular formula C12H12ClFN2O2 and a molecular weight of 270.69 g/mol. Its IUPAC name is [5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol
PubChem CID55062740
Molecular FormulaC12H12ClFN2O2
Molecular Weight270.69 g/mol
Exact Mass270.06
IUPAC Name[5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol
SMILESCOCc1nn(-c2cccc(F)c2)c(Cl)c1CO
InChIInChI=1S/C12H12ClFN2O2/c1-18-7-11-10(6-17)12(13)16(15-11)9-4-2-3-8(14)5-9/h2-5,17H,6-7H2,1H3
InChIKeyKAPJCCJRWPFTSB-UHFFFAOYSA-N
XLogP2.30
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)methanol
CID 940312
1-(5-Chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-yn-1-ol
CID 156903965
(5-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazol-4-yl)-methanol
CID 17862912
1-(4-Chlorophenyl)-3-[(1,1-difluoro-2,2-dimethylpropoxy)methyl]-5-methylpyrazole
CID 58044509
[5-Chloro-3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methanol
CID 58733798
[2-(2-Chloro-phenyl)-5-trifluoromethyl-2h-pyrazol-3-yl]-methanol
CID 59240012
5-Chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde
CID 62318259
5-Chloro-1-(2,4-difluorophenyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde
CID 62318816
5-Chloro-1-(2-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde
CID 62319361
5-Chloro-1-(4-fluorophenyl)-3-(methoxymethyl)pyrazole-4-carbaldehyde
CID 62319552
[5-Chloro-3-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methanol
CID 62891214
[5-Chloro-3-(difluoromethyl)-1-(2,4-difluorophenyl)pyrazol-4-yl]methanol
CID 62891733

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol (CID 55062740) is [5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol is COCc1nn(-c2cccc(F)c2)c(Cl)c1CO.
What is the InChIKey of [5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol?
The InChIKey is KAPJCCJRWPFTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O2/c1-18-7-11-10(6-17)12(13)16(15-11)9-4-2-3-8(14)5-9/h2-5,17H,6-7H2,1H3.
What are the key properties of [5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol?
[5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol has a molecular weight of 270.69 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-(3-fluorophenyl)-3-(methoxymethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 55062740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).