N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide

C11H11Cl2N3O — CID 90914024

IUPACN-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN=N1
InChIInChI=1S/C11H11Cl2N3O/c1-11(4-5-14-16-11)10(17)15-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H,15,17)
InChIKeyCOZYVOWCLWAUAD-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.55
Rot. Bonds2

About N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide

N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide (PubChem CID 90914024) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
PubChem CID90914024
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC NameN-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN=N1
InChIInChI=1S/C11H11Cl2N3O/c1-11(4-5-14-16-11)10(17)15-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H,15,17)
InChIKeyCOZYVOWCLWAUAD-UHFFFAOYSA-N
XLogP3.55
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide
CID 91179852
N-(3,4-dichlorophenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670891
N-(3,4-dichlorophenyl)-1-(3-methylbutyl)cyclopentane-1-carboxamide
CID 141114710
S-methyl N-(3,4-dichlorophenyl)carbamothioate
CID 23273770
N-(3,4-dichlorophenyl)-2-methylprop-2-enamide
CID 16560
1-(azepane-1-carbonyl)-N-(3,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 108980503
[3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 170165075
2,2-dichloro-N-(3-chloro-4-fluorophenyl)-1-methylcyclopropane-1-carboxamide
CID 42910446
N-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 63140585
(1R)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 7039241
(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 7039242
N-(3,4-dichlorophenyl)-1-(2-methyl-1H-indol-3-yl)cyclopropane-1-carboxamide
CID 113211833

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide (CID 90914024) is N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide is CC1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN=N1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is COZYVOWCLWAUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-11(4-5-14-16-11)10(17)15-7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H,15,17).
What are the key properties of N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide?
N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 272.13 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-methyl-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 90914024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).