N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide

C12H10Cl2N4O2 — CID 40609257

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCc1c(C(=O)N/N=C\c2ccc(Cl)cc2Cl)[nH][nH]c1=O
InChIInChI=1S/C12H10Cl2N4O2/c1-6-10(16-18-11(6)19)12(20)17-15-5-7-2-3-8(13)4-9(7)14/h2-5H,1H3,(H,17,20)(H2,16,18,19)/b15-5-
InChIKeyPAAPEIUCTGWIBZ-WCSRMQSCSA-N
MW313.14 g/mol
LogP2.08
Rot. Bonds3

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 40609257) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID40609257
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCc1c(C(=O)N/N=C\c2ccc(Cl)cc2Cl)[nH][nH]c1=O
InChIInChI=1S/C12H10Cl2N4O2/c1-6-10(16-18-11(6)19)12(20)17-15-5-7-2-3-8(13)4-9(7)14/h2-5H,1H3,(H,17,20)(H2,16,18,19)/b15-5-
InChIKeyPAAPEIUCTGWIBZ-WCSRMQSCSA-N
XLogP2.08
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.08
H-Bond Donors ≤ 53
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

1-N,4-N-bis[(E)-(2,4-dichlorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 6894297
[(2,4-dichlorophenyl)methylideneamino]carbamic acid
CID 70469242
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide
CID 6162520
2-chloro-N-[(E)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 5332948
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-6-methylpyridine-3-carboxamide
CID 7334458
N-[(2,4-dichlorophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 70121828
N-(5-chloro-2-methylphenyl)-N'-[(E)-(2,4-dichlorophenyl)methylideneamino]oxamide
CID 56698653
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176992
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-4-methyl-1H-pyrazole-5-carboxamide
CID 6888557
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-fluorobenzamide
CID 6299939
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836336
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 40609257) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide is Cc1c(C(=O)N/N=C\c2ccc(Cl)cc2Cl)[nH][nH]c1=O.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is PAAPEIUCTGWIBZ-WCSRMQSCSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c1-6-10(16-18-11(6)19)12(20)17-15-5-7-2-3-8(13)4-9(7)14/h2-5H,1H3,(H,17,20)(H2,16,18,19)/b15-5-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 313.14 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 40609257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).