4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

C12H12Cl2N4O — CID 55179183

IUPAC4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1[nH]ncc1N
InChIInChI=1S/C12H12Cl2N4O/c1-18(12(19)11-9(15)5-16-17-11)6-7-3-2-4-8(13)10(7)14/h2-5H,6,15H2,1H3,(H,16,17)
InChIKeyQGHCLTQUFBSNDJ-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.57
Rot. Bonds3

About 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 55179183) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID55179183
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)c1[nH]ncc1N
InChIInChI=1S/C12H12Cl2N4O/c1-18(12(19)11-9(15)5-16-17-11)6-7-3-2-4-8(13)10(7)14/h2-5H,6,15H2,1H3,(H,16,17)
InChIKeyQGHCLTQUFBSNDJ-UHFFFAOYSA-N
XLogP2.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-methyl-N-[(2-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 55178020
4-amino-N-[(2-methoxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102134
4-amino-N-[(2,4-dimethylphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 55161300
4-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63101793
N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60628158
3-amino-N-[(2,3-dichlorophenyl)methyl]-N,4-dimethylbenzamide
CID 60938036
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
4-(aminomethyl)-N-[(2,3-dichlorophenyl)methyl]-N-methylbenzamide
CID 60937647
4-amino-N-methyl-N-propyl-1H-pyrazole-5-carboxamide
CID 63102288
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1,2,5-thiadiazole-3-carboxamide
CID 47259850
4-amino-N-[(4-cyanophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 63102864
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 55179183) is 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is CN(Cc1cccc(Cl)c1Cl)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is QGHCLTQUFBSNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-18(12(19)11-9(15)5-16-17-11)6-7-3-2-4-8(13)10(7)14/h2-5H,6,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2,3-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 55179183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).