3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide

C18H15ClN4O2 — CID 4198779

IUPAC3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1cccc(O)c1
InChIInChI=1S/C18H15ClN4O2/c1-11(12-5-4-6-13(24)9-12)20-23-18(25)17-10-16(21-22-17)14-7-2-3-8-15(14)19/h2-10,24H,1H3,(H,21,22)(H,23,25)
InChIKeyRBZDVCZRMYEHFR-UHFFFAOYSA-N
MW354.80 g/mol
LogP3.59
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 4198779) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID4198779
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC Name3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1cccc(O)c1
InChIInChI=1S/C18H15ClN4O2/c1-11(12-5-4-6-13(24)9-12)20-23-18(25)17-10-16(21-22-17)14-7-2-3-8-15(14)19/h2-10,24H,1H3,(H,21,22)(H,23,25)
InChIKeyRBZDVCZRMYEHFR-UHFFFAOYSA-N
XLogP3.59
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-(1-pyridin-4-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 686577
3-(2-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547180
3-(4-fluorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 761753
3-(1,2-dihydroacenaphthylen-5-yl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4638228
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 6083366
3-(2-ethoxyphenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 135547232
3-(2-ethoxyphenyl)-N-[1-(4-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 1128655
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
3-(2-chlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136851853
3-(4-chlorophenyl)-N-(1-naphthalen-2-ylethylideneamino)-1H-pyrazole-5-carboxamide
CID 1362119
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
2,4-dichloro-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 6167444

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide (CID 4198779) is 3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is CC(=NNC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1cccc(O)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is RBZDVCZRMYEHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-11(12-5-4-6-13(24)9-12)20-23-18(25)17-10-16(21-22-17)14-7-2-3-8-15(14)19/h2-10,24H,1H3,(H,21,22)(H,23,25).
What are the key properties of 3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[1-(3-hydroxyphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 4198779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).