[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol

C15H20N2O — CID 43647400

IUPAC[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
SMILESCc1nn(CCCc2ccccc2)c(C)c1CO
InChIInChI=1S/C15H20N2O/c1-12-15(11-18)13(2)17(16-12)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,18H,6,9-11H2,1-2H3
InChIKeyCWGVVCIAFFQMBG-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.63
Rot. Bonds5

About [3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol

[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol (PubChem CID 43647400) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is [3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
PubChem CID43647400
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
SMILESCc1nn(CCCc2ccccc2)c(C)c1CO
InChIInChI=1S/C15H20N2O/c1-12-15(11-18)13(2)17(16-12)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,18H,6,9-11H2,1-2H3
InChIKeyCWGVVCIAFFQMBG-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
CID 62730416
1-[2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridin-2-one
CID 82907789
[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol
CID 43647302
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone
CID 55110817
N-[[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 62730449
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647395
N-[[5-methyl-1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 63266059
5-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-one
CID 105093132
[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 61483803
3-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]benzonitrile
CID 43647357

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol?
The IUPAC name of [3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol (CID 43647400) is [3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol is Cc1nn(CCCc2ccccc2)c(C)c1CO.
What is the InChIKey of [3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol?
The InChIKey is CWGVVCIAFFQMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12-15(11-18)13(2)17(16-12)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,18H,6,9-11H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol?
[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol has a molecular weight of 244.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 43647400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).