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

C15H20N2O — CID 134085813

IUPAC2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol
SMILESCc1cccc(Cn2nccc2C(O)C(C)C)c1
InChIInChI=1S/C15H20N2O/c1-11(2)15(18)14-7-8-16-17(14)10-13-6-4-5-12(3)9-13/h4-9,11,15,18H,10H2,1-3H3
InChIKeyZZGCCSJIOHAOFT-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.93
Rot. Bonds4

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

2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol (PubChem CID 134085813) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol
PubChem CID134085813
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol
SMILESCc1cccc(Cn2nccc2C(O)C(C)C)c1
InChIInChI=1S/C15H20N2O/c1-11(2)15(18)14-7-8-16-17(14)10-13-6-4-5-12(3)9-13/h4-9,11,15,18H,10H2,1-3H3
InChIKeyZZGCCSJIOHAOFT-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 83241528
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CID 107330309
1-benzyl-5-(1-chloroethyl)pyrazole
CID 121008900
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide
CID 55687689
2-[cyclopropyl-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]amino]propanoic acid
CID 122100452
[5-chloro-1-[(3-methylphenyl)methyl]pyrazol-4-yl]methanol
CID 115068523
1-[(3-methylphenyl)methyl]-4-phenoxypyrazole-5-carboxylic acid
CID 117232583
N-methyl-3-(3-methylphenyl)-1-(2-propylpyrazol-3-yl)propan-1-amine
CID 105148148
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 139016394
3-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-N,2-dimethylpropan-1-amine
CID 79224020
1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906680

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol (CID 134085813) is 2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol is Cc1cccc(Cn2nccc2C(O)C(C)C)c1.
What is the InChIKey of 2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol?
The InChIKey is ZZGCCSJIOHAOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11(2)15(18)14-7-8-16-17(14)10-13-6-4-5-12(3)9-13/h4-9,11,15,18H,10H2,1-3H3.
What are the key properties of 2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol?
2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol has a molecular weight of 244.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]propan-1-ol is sourced from PubChem (CID 134085813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).