2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol

C17H24N2O — CID 66057568

IUPAC2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
SMILESCc1ccc(CC(CO)Cc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C17H24N2O/c1-13(2)19-9-8-17(18-19)11-16(12-20)10-15-6-4-14(3)5-7-15/h4-9,13,16,20H,10-12H2,1-3H3
InChIKeyOZEMIKSGIYIPLP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.17
Rot. Bonds6

About 2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol

2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol (PubChem CID 66057568) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
PubChem CID66057568
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
SMILESCc1ccc(CC(CO)Cc2ccn(C(C)C)n2)cc1
InChIInChI=1S/C17H24N2O/c1-13(2)19-9-8-17(18-19)11-16(12-20)10-15-6-4-14(3)5-7-15/h4-9,13,16,20H,10-12H2,1-3H3
InChIKeyOZEMIKSGIYIPLP-UHFFFAOYSA-N
XLogP3.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 66059261
2-[(4-methoxyphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 66059687
2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
CID 79449988
2-[(4-bromophenyl)methyl]-3-(1-butan-2-ylpyrazol-3-yl)propan-1-ol
CID 66060549
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 66059463
2-[(4-chlorophenyl)methyl]-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64771939
2-[(3-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773193
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(4-fluorophenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 64772608
(2S)-2-(aminomethyl)-3-(4-methylphenyl)propan-1-ol
CID 42328832
2-[(1-butan-2-ylpyrazol-3-yl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 66057604
N,2-dimethyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 64773528

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol (CID 66057568) is 2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol is Cc1ccc(CC(CO)Cc2ccn(C(C)C)n2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
The InChIKey is OZEMIKSGIYIPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)19-9-8-17(18-19)11-16(12-20)10-15-6-4-14(3)5-7-15/h4-9,13,16,20H,10-12H2,1-3H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol?
2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol has a molecular weight of 272.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-3-(1-propan-2-ylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 66057568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).