3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol

C13H16N2O — CID 66057746

IUPAC3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
SMILESCn1cc(CC(CO)c2ccccc2)cn1
InChIInChI=1S/C13H16N2O/c1-15-9-11(8-14-15)7-13(10-16)12-5-3-2-4-6-12/h2-6,8-9,13,16H,7,10H2,1H3
InChIKeyKOKQSIBVVLGQLK-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.74
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol

3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol (PubChem CID 66057746) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
PubChem CID66057746
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
SMILESCn1cc(CC(CO)c2ccccc2)cn1
InChIInChI=1S/C13H16N2O/c1-15-9-11(8-14-15)7-13(10-16)12-5-3-2-4-6-12/h2-6,8-9,13,16H,7,10H2,1H3
InChIKeyKOKQSIBVVLGQLK-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79436107
2-(4-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 79438146
1-(1-methylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780396
2-[(1-methylpyrazol-4-yl)methyl]propane-1,3-diol
CID 79450253
1-hydroxy-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-one
CID 103458024
1-(2,3-diphenylpropyl)-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 109389720
2-(3-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 79443440
4-[3-bromo-2-(2-bromophenyl)propyl]-1-methylpyrazole
CID 79454417
2-(2,3-diphenylpropyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 109389609
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 79437814
N-benzyl-1-(1-methylpyrazol-4-yl)propan-2-amine
CID 122157851
1-ethoxy-N-methyl-3-(1-methylpyrazol-4-yl)-1-phenylpropan-2-amine
CID 116773579

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol (CID 66057746) is 3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol is Cn1cc(CC(CO)c2ccccc2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol?
The InChIKey is KOKQSIBVVLGQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-15-9-11(8-14-15)7-13(10-16)12-5-3-2-4-6-12/h2-6,8-9,13,16H,7,10H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol?
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol has a molecular weight of 216.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 66057746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).