1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide

C20H15ClF2N4O2 — CID 137083214

IUPAC1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide
SMILESC=CC(F)(F)c1c(C(=O)NN=Cc2ccccc2O)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClF2N4O2/c1-2-20(22,23)18-16(12-25-27(18)15-9-7-14(21)8-10-15)19(29)26-24-11-13-5-3-4-6-17(13)28/h2-12,28H,1H2,(H,26,29)
InChIKeyBSIHMBGHPWFZJY-UHFFFAOYSA-N
MW416.82 g/mol
LogP4.27
Rot. Bonds6

About 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide

1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide (PubChem CID 137083214) has the molecular formula C20H15ClF2N4O2 and a molecular weight of 416.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide
PubChem CID137083214
Molecular FormulaC20H15ClF2N4O2
Molecular Weight416.82 g/mol
Exact Mass416.09
IUPAC Name1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide
SMILESC=CC(F)(F)c1c(C(=O)NN=Cc2ccccc2O)cnn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClF2N4O2/c1-2-20(22,23)18-16(12-25-27(18)15-9-7-14(21)8-10-15)19(29)26-24-11-13-5-3-4-6-17(13)28/h2-12,28H,1H2,(H,26,29)
InChIKeyBSIHMBGHPWFZJY-UHFFFAOYSA-N
XLogP4.27
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.82
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chlorophenyl)-1H-pyrazol-4-yl](2-hydroxyphenyl)methanone
CID 1481828
5-chloro-N'-(2-hydroxybenzoyl)-3-methyl-1-phenylpyrazole-4-carbohydrazide
CID 8180364
N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzamide
CID 135968273
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 6906088
N'-(6-chloro-2H-chromene-3-carbonyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide
CID 2809639
1-(4-chlorophenyl)-N-[(3-hydroxyphenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 155533083
N-(3-amino-5-chlorophenyl)-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146167536
1-(4-chlorophenyl)-N-[(2-methoxyphenyl)methyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 50904512
N-[[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 2456699
3-[[1-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 21105106
1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46654377
N-(benzylideneamino)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 77400472

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide (CID 137083214) is 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide is C=CC(F)(F)c1c(C(=O)NN=Cc2ccccc2O)cnn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide?
The InChIKey is BSIHMBGHPWFZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF2N4O2/c1-2-20(22,23)18-16(12-25-27(18)15-9-7-14(21)8-10-15)19(29)26-24-11-13-5-3-4-6-17(13)28/h2-12,28H,1H2,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide?
1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide has a molecular weight of 416.82 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(1,1-difluoroprop-2-enyl)-N-[(2-hydroxyphenyl)methylideneamino]pyrazole-4-carboxamide is sourced from PubChem (CID 137083214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).