[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol

C13H16N2O — CID 66437469

IUPAC[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCc1ccccc1Cn1ncc(CO)c1C
InChIInChI=1S/C13H16N2O/c1-10-5-3-4-6-12(10)8-15-11(2)13(9-16)7-14-15/h3-7,16H,8-9H2,1-2H3
InChIKeyGLELGPWWPKHTSR-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.04
Rot. Bonds3

About [5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol

[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol (PubChem CID 66437469) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is [5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
PubChem CID66437469
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
SMILESCc1ccccc1Cn1ncc(CO)c1C
InChIInChI=1S/C13H16N2O/c1-10-5-3-4-6-12(10)8-15-11(2)13(9-16)7-14-15/h3-7,16H,8-9H2,1-2H3
InChIKeyGLELGPWWPKHTSR-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-amino-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115069601
N-[1-[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 63272233
2-[(2-methylphenyl)methyl]-1,2,4-triazine-3,5-dione
CID 119089149
3-[1-[(2-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276495
[1-[(2-methylphenyl)methyl]pyrazol-3-yl]methanol
CID 99988035
N-[[1-[(2-methylphenyl)methyl]-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66441388
2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
CID 169129055
4-methyl-2-[(2-methylphenyl)methyl]-1,2,4-triazol-3-one
CID 115774450
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-4-amine
CID 63276674
1-[(2-methylphenyl)methyl]-5,6,7,8-tetrahydrocyclohepta[d]pyrazol-4-one
CID 107384235
1-[(2-bromophenyl)methyl]-5-methylpyrazole-4-carbaldehyde
CID 63276615
[1-(2-methylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436357

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol (CID 66437469) is [5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol is Cc1ccccc1Cn1ncc(CO)c1C.
What is the InChIKey of [5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol?
The InChIKey is GLELGPWWPKHTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10-5-3-4-6-12(10)8-15-11(2)13(9-16)7-14-15/h3-7,16H,8-9H2,1-2H3.
What are the key properties of [5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol?
[5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol has a molecular weight of 216.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66437469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).