[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol

C12H13ClN2O — CID 115068523

IUPAC[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCc1cccc(Cn2ncc(CO)c2Cl)c1
InChIInChI=1S/C12H13ClN2O/c1-9-3-2-4-10(5-9)7-15-12(13)11(8-16)6-14-15/h2-6,16H,7-8H2,1H3
InChIKeyKJLPBSIGGRCAPG-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.39
Rot. Bonds3

About [5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol

[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 115068523) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is [5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
PubChem CID115068523
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCc1cccc(Cn2ncc(CO)c2Cl)c1
InChIInChI=1S/C12H13ClN2O/c1-9-3-2-4-10(5-9)7-15-12(13)11(8-16)6-14-15/h2-6,16H,7-8H2,1H3
InChIKeyKJLPBSIGGRCAPG-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 115068545
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
CID 115068526
[5-chloro-1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methanol
CID 115068574
5-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 83241528
2-[5-chloro-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]acetic acid
CID 115068562
[1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 62730723
2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
CID 169129055
5-amino-1-[(3-methylphenyl)methyl]pyrazole-4-carboxamide
CID 83240421
5-chloro-1-[(3-methylphenyl)methyl]triazole-4-carboxylic acid
CID 102544050
[1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol
CID 66439220
[1-[(4-methylphenyl)methyl]-5-propylpyrazol-4-yl]methanol
CID 66437458
3-chloro-2-[(3-methylphenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole
CID 83192577

Frequently Asked Questions

What is the IUPAC name of [5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol (CID 115068523) is [5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol is Cc1cccc(Cn2ncc(CO)c2Cl)c1.
What is the InChIKey of [5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is KJLPBSIGGRCAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-9-3-2-4-10(5-9)7-15-12(13)11(8-16)6-14-15/h2-6,16H,7-8H2,1H3.
What are the key properties of [5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol?
[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 236.70 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 115068523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).