2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C14H18N2O — CID 79436107

IUPAC2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2cnn(C)c2)cc1
InChIInChI=1S/C14H18N2O/c1-11-3-5-13(6-4-11)14(10-17)7-12-8-15-16(2)9-12/h3-6,8-9,14,17H,7,10H2,1-2H3
InChIKeySRIUMMFTGUIWHC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.05
Rot. Bonds4

About 2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 79436107) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID79436107
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2cnn(C)c2)cc1
InChIInChI=1S/C14H18N2O/c1-11-3-5-13(6-4-11)14(10-17)7-12-8-15-16(2)9-12/h3-6,8-9,14,17H,7,10H2,1-2H3
InChIKeySRIUMMFTGUIWHC-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79438146
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746
2-methyl-N-[2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propyl]propan-1-amine
CID 79430703
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 79437814
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-ol
CID 104813197
N-ethyl-1-(4-methylphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 66065206
2-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 79438534
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002
N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80709626
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 79436107) is 2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is Cc1ccc(C(CO)Cc2cnn(C)c2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is SRIUMMFTGUIWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-3-5-13(6-4-11)14(10-17)7-12-8-15-16(2)9-12/h3-6,8-9,14,17H,7,10H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 230.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 79436107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).