(Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol

C12H11FN2O — CID 174462820

IUPAC(Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol
SMILESO/C=C\C(F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H11FN2O/c13-12(6-7-16)10-8-14-15(9-10)11-4-2-1-3-5-11/h1-9,12,16H/b7-6-
InChIKeyRSWHKPMXTLPXMB-SREVYHEPSA-N
MW218.23 g/mol
LogP2.95
Rot. Bonds3

About (Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol

(Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol (PubChem CID 174462820) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is (Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol
PubChem CID174462820
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name(Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol
SMILESO/C=C\C(F)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H11FN2O/c13-12(6-7-16)10-8-14-15(9-10)11-4-2-1-3-5-11/h1-9,12,16H/b7-6-
InChIKeyRSWHKPMXTLPXMB-SREVYHEPSA-N
XLogP2.95
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(1-phenylpyrazol-4-yl)methanediol
CID 70397428
2-fluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 79367084
N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105161286
2,2-difluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 62398863
(3-fluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088951
2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43248561
4-(1-chloro-3-methylbutyl)-1-phenylpyrazole
CID 61085631
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105163593
4-(1-chloro-2-cyclopentylethyl)-1-phenylpyrazole
CID 63433194
(2,3-difluorophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 62662141
(2-iodophenyl)-(1-phenylpyrazol-4-yl)methanol
CID 61088962
3,3,3-trifluoro-2-(1-phenylpyrazol-4-yl)propan-1-amine
CID 82534378

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol?
The IUPAC name of (Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol (CID 174462820) is (Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol.
What is the SMILES notation for (Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol?
The canonical SMILES for (Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol is O/C=C\C(F)c1cnn(-c2ccccc2)c1.
What is the InChIKey of (Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol?
The InChIKey is RSWHKPMXTLPXMB-SREVYHEPSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-12(6-7-16)10-8-14-15(9-10)11-4-2-1-3-5-11/h1-9,12,16H/b7-6-.
What are the key properties of (Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol?
(Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol has a molecular weight of 218.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol is sourced from PubChem (CID 174462820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).