[1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol

C12H14N2O — CID 99988035

IUPAC[1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol
SMILESCc1ccccc1Cn1ccc(CO)n1
InChIInChI=1S/C12H14N2O/c1-10-4-2-3-5-11(10)8-14-7-6-12(9-15)13-14/h2-7,15H,8-9H2,1H3
InChIKeyYSQCNVVNQJFTJD-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.73
Rot. Bonds3

About [1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol

[1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol (PubChem CID 99988035) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is [1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol
PubChem CID99988035
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name[1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol
SMILESCc1ccccc1Cn1ccc(CO)n1
InChIInChI=1S/C12H14N2O/c1-10-4-2-3-5-11(10)8-14-7-6-12(9-15)13-14/h2-7,15H,8-9H2,1H3
InChIKeyYSQCNVVNQJFTJD-UHFFFAOYSA-N
XLogP1.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methyl]-3-nitropyrazole
CID 2979126
1-(2-methylphenyl)-3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]thiourea
CID 17382761
3-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyridine
CID 99964672
2,4-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284921
1-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-3-(2-methylpropyl)thiourea
CID 19395020
2,6-difluoro-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 17088808
[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115069601
4-bromo-1,3-dimethyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-5-carboxamide
CID 19480334
[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 66437469
4-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzenesulfonamide
CID 19578079
2-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17026152
1-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-3-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19395033

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol?
The IUPAC name of [1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol (CID 99988035) is [1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol?
The canonical SMILES for [1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol is Cc1ccccc1Cn1ccc(CO)n1.
What is the InChIKey of [1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol?
The InChIKey is YSQCNVVNQJFTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-10-4-2-3-5-11(10)8-14-7-6-12(9-15)13-14/h2-7,15H,8-9H2,1H3.
What are the key properties of [1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol?
[1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol has a molecular weight of 202.26 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 99988035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).