N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

C18H16Cl2N4O2 — CID 91309474

IUPACN-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(Cl)c(Cl)cc2N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H16Cl2N4O2/c1-10-16(17(25)22-15-9-13(20)12(19)8-14(15)21)18(26)24(23(10)2)11-6-4-3-5-7-11/h3-9H,21H2,1-2H3,(H,22,25)
InChIKeyRUPYLBAIXYZXJR-UHFFFAOYSA-N
MW391.26 g/mol
LogP3.63
Rot. Bonds3

About N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide

N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (PubChem CID 91309474) has the molecular formula C18H16Cl2N4O2 and a molecular weight of 391.26 g/mol. Its IUPAC name is N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
PubChem CID91309474
Molecular FormulaC18H16Cl2N4O2
Molecular Weight391.26 g/mol
Exact Mass390.07
IUPAC NameN-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cc(Cl)c(Cl)cc2N)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C18H16Cl2N4O2/c1-10-16(17(25)22-15-9-13(20)12(19)8-14(15)21)18(26)24(23(10)2)11-6-4-3-5-7-11/h3-9H,21H2,1-2H3,(H,22,25)
InChIKeyRUPYLBAIXYZXJR-UHFFFAOYSA-N
XLogP3.63
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-fluoro-4-hydroxyphenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90033637
N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90700662
N-(4-bromo-2-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 59383941
4-(2,4-diamino-5-chloroanilino)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 90795843
N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 59383942
4-(4-chlorobenzoyl)-1,5-dimethyl-2-phenylpyrazol-3-one
CID 12933291
3-chloro-4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-3-fluorophenoxy]pyridine-2-carboxamide
CID 73051075
1,5-dimethyl-2-phenyl-4-(2,2,2-trifluoroacetyl)pyrazol-3-one
CID 174506740
N-[4-[3-chloro-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]phenoxy]-2-pyridinyl]morpholine-4-carboxamide
CID 73053686
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodobenzamide
CID 39705744
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide (CID 91309474) is N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cc(Cl)c(Cl)cc2N)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
The InChIKey is RUPYLBAIXYZXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O2/c1-10-16(17(25)22-15-9-13(20)12(19)8-14(15)21)18(26)24(23(10)2)11-6-4-3-5-7-11/h3-9H,21H2,1-2H3,(H,22,25).
What are the key properties of N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide?
N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide has a molecular weight of 391.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dichlorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 91309474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).