[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol

C15H18N2O — CID 43647302

IUPAC[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol
SMILESCc1nn(C/C=C/c2ccccc2)c(C)c1CO
InChIInChI=1S/C15H18N2O/c1-12-15(11-18)13(2)17(16-12)10-6-9-14-7-4-3-5-8-14/h3-9,18H,10-11H2,1-2H3/b9-6+
InChIKeyNOFBNOHJYDPWMD-RMKNXTFCSA-N
MW242.32 g/mol
LogP2.71
Rot. Bonds4

About [3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol

[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol (PubChem CID 43647302) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol
PubChem CID43647302
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol
SMILESCc1nn(C/C=C/c2ccccc2)c(C)c1CO
InChIInChI=1S/C15H18N2O/c1-12-15(11-18)13(2)17(16-12)10-6-9-14-7-4-3-5-8-14/h3-9,18H,10-11H2,1-2H3/b9-6+
InChIKeyNOFBNOHJYDPWMD-RMKNXTFCSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-dimethyl-1-(3-phenylprop-2-enyl)pyrazol-4-yl]acetic acid
CID 61294436
5-methyl-2-[(E)-3-phenylprop-2-enyl]pyrazole-3-carboxylic acid
CID 82293348
[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
CID 43647400
3-methyl-5-phenyl-1-[(E)-3-phenylprop-2-enyl]-1,2,4-triazole
CID 52878167
[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647395
1-[2-[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]ethyl]pyridin-2-one
CID 82907789
3,5-dibromo-1-[(E)-3-phenylprop-2-enyl]pyrazole
CID 114692400
6,8-dimethyl-7-(3-phenylprop-2-enyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 4314110
methyl 2-[2-[[4-(hydroxymethyl)-3,5-dimethylpyrazol-1-yl]methyl]phenyl]acetate
CID 115463151
[2,3,5,6-tetramethyl-4-[(E)-2-phenylethenyl]phenyl]methanol
CID 158435639
1-benzyl-4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,5-dimethylpyrazole
CID 13433139
[4-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 11532028

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol?
The IUPAC name of [3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol (CID 43647302) is [3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol is Cc1nn(C/C=C/c2ccccc2)c(C)c1CO.
What is the InChIKey of [3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol?
The InChIKey is NOFBNOHJYDPWMD-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-15(11-18)13(2)17(16-12)10-6-9-14-7-4-3-5-8-14/h3-9,18H,10-11H2,1-2H3/b9-6+.
What are the key properties of [3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol?
[3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol has a molecular weight of 242.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[(E)-3-phenylprop-2-enyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 43647302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).