3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide

C11H10Cl2N4O — CID 149128882

IUPAC3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4O/c12-6-2-1-5(3-7(6)13)4-8-9(11(15)18)10(14)17-16-8/h1-3H,4H2,(H2,15,18)(H3,14,16,17)
InChIKeyRBURLFKNDKRVIS-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.99
Rot. Bonds3

About 3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide

3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 149128882) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID149128882
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(N)n[nH]c1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl2N4O/c12-6-2-1-5(3-7(6)13)4-8-9(11(15)18)10(14)17-16-8/h1-3H,4H2,(H2,15,18)(H3,14,16,17)
InChIKeyRBURLFKNDKRVIS-UHFFFAOYSA-N
XLogP1.99
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-4-fluorophenyl)methyl]-3-[(4-hydroxyphenyl)methylideneamino]-1H-pyrazole-4-carboxamide
CID 158239078
5-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-amine
CID 82084834
5-[(3-chlorophenyl)methyl]-3-(3-phenylpropyl)-1H-pyrazole-4-carboxamide
CID 158216481
3-amino-5-[4-[(2,4-difluorophenyl)methyl]phenyl]-1H-pyrazole-4-carboxamide
CID 144618606
3-[2-(3-amino-4-carbamoyl-1H-pyrazol-5-yl)ethynyl]-4-chlorobenzoic acid
CID 134366151
5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide
CID 70492189
5-[(3-chlorophenyl)methyl]-3-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 160822484
4-(3,4-dichlorophenyl)butanamide
CID 47319689
5-[(3-chlorophenyl)methyl]-3-[(4-hydroxy-3-nitrophenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 161419116
2-[(3,4-dichlorophenyl)methylamino]oxyacetamide
CID 112672874
1-(4-aminophenyl)-3-(3,4-dichlorophenyl)propan-2-one
CID 116549406
3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide
CID 107873411

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide (CID 149128882) is 3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide is NC(=O)c1c(N)n[nH]c1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is RBURLFKNDKRVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-6-2-1-5(3-7(6)13)4-8-9(11(15)18)10(14)17-16-8/h1-3H,4H2,(H2,15,18)(H3,14,16,17).
What are the key properties of 3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide?
3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 1.99, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3,4-dichlorophenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 149128882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).