3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol

C14H16N2O — CID 169454458

IUPAC3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
SMILESCc1nn(-c2ccccc2)c(C)c1C=CCO
InChIInChI=1S/C14H16N2O/c1-11-14(9-6-10-17)12(2)16(15-11)13-7-4-3-5-8-13/h3-9,17H,10H2,1-2H3
InChIKeyIFZDHPYYUFSICD-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.49
Rot. Bonds3

About 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol (PubChem CID 169454458) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
PubChem CID169454458
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol
SMILESCc1nn(-c2ccccc2)c(C)c1C=CCO
InChIInChI=1S/C14H16N2O/c1-11-14(9-6-10-17)12(2)16(15-11)13-7-4-3-5-8-13/h3-9,17H,10H2,1-2H3
InChIKeyIFZDHPYYUFSICD-UHFFFAOYSA-N
XLogP2.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-1-phenyl-4-[(Z)-prop-1-enyl]pyrazole
CID 143867977
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 75266589
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanimine
CID 67710570
[2-(methylamino)-2-oxoethyl] 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 3670782
(E,2Z)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxyiminobut-3-enoic acid
CID 10541113
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
3-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoylamino]propanoic acid
CID 127265525
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]propanedinitrile
CID 3771083
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
CID 9489262
(E)-N-benzyl-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-ethylprop-2-enamide
CID 42997386
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 2667600
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(2-methylsulfonylethyl)prop-2-enamide
CID 51092268

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol?
The IUPAC name of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol (CID 169454458) is 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol is Cc1nn(-c2ccccc2)c(C)c1C=CCO.
What is the InChIKey of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol?
The InChIKey is IFZDHPYYUFSICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-14(9-6-10-17)12(2)16(15-11)13-7-4-3-5-8-13/h3-9,17H,10H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol?
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol has a molecular weight of 228.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 169454458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).