N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

C11H9ClN4O — CID 5391786

IUPACN-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C\c1ccccc1Cl)c1ccn[nH]1
InChIInChI=1S/C11H9ClN4O/c12-9-4-2-1-3-8(9)7-14-16-11(17)10-5-6-13-15-10/h1-7H,(H,13,15)(H,16,17)/b14-7-
InChIKeyPDHWFJRRCSBSPZ-AUWJEWJLSA-N
MW248.67 g/mol
LogP1.83
Rot. Bonds3

About N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide

N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 5391786) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID5391786
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC NameN-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C\c1ccccc1Cl)c1ccn[nH]1
InChIInChI=1S/C11H9ClN4O/c12-9-4-2-1-3-8(9)7-14-16-11(17)10-5-6-13-15-10/h1-7H,(H,13,15)(H,16,17)/b14-7-
InChIKeyPDHWFJRRCSBSPZ-AUWJEWJLSA-N
XLogP1.83
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 135400326
3,4-dichloro-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 780461
2-bromo-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 4148800
N-(furan-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 768290
N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 920401
N-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5404816
N-[(E)-[(Z)-3-bromo-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
CID 5344053
N-[(2-chlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 5161262
5-bromo-N-[(2-chlorophenyl)methylideneamino]furan-2-carboxamide
CID 932581
5-tert-butyl-N-[(2-chlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760685
N-[(2-chlorophenyl)methylideneamino]-4-propan-2-ylbenzamide
CID 3705620
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide (CID 5391786) is N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C\c1ccccc1Cl)c1ccn[nH]1.
What is the InChIKey of N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is PDHWFJRRCSBSPZ-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-9-4-2-1-3-8(9)7-14-16-11(17)10-5-6-13-15-10/h1-7H,(H,13,15)(H,16,17)/b14-7-.
What are the key properties of N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide?
N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 248.67 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5391786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).