N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide

C18H15ClN4O — CID 761031

IUPACN-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4O/c1-12-16(14-5-3-2-4-6-14)21-22-17(12)18(24)23-20-11-13-7-9-15(19)10-8-13/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyMRRVDSPTPFBASN-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.80
Rot. Bonds4

About N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide

N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 761031) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID761031
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1c(-c2ccccc2)n[nH]c1C(=O)NN=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H15ClN4O/c1-12-16(14-5-3-2-4-6-14)21-22-17(12)18(24)23-20-11-13-7-9-15(19)10-8-13/h2-11H,1H3,(H,21,22)(H,23,24)
InChIKeyMRRVDSPTPFBASN-UHFFFAOYSA-N
XLogP3.80
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.80
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)-(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6888323
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 135704390
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6000038
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 5402486
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 6863444
4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 3491644
N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 136913822
4-methyl-3-phenyl-N-(thiophen-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 775814
N-[(E)-(4-chlorophenyl)methylideneamino]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 6871077
3-(4-ethoxyphenyl)-4-methyl-N-(pyridin-4-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 950350
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 6888557
N-[(4-chlorophenyl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 870115

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 761031) is N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is Cc1c(-c2ccccc2)n[nH]c1C(=O)NN=Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is MRRVDSPTPFBASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-12-16(14-5-3-2-4-6-14)21-22-17(12)18(24)23-20-11-13-7-9-15(19)10-8-13/h2-11H,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methylideneamino]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 761031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).