5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide

C13H14Cl2N6O2 — CID 134564349

IUPAC5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide
SMILESCN(C)c1nn(-c2c(Cl)cc(C(N)=O)cc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C13H14Cl2N6O2/c1-20(2)13-8(12(18)23)10(16)21(19-13)9-6(14)3-5(11(17)22)4-7(9)15/h3-4H,16H2,1-2H3,(H2,17,22)(H2,18,23)
InChIKeyXESDIKIYDQLEPI-UHFFFAOYSA-N
MW357.20 g/mol
LogP1.03
Rot. Bonds4

About 5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide

5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide (PubChem CID 134564349) has the molecular formula C13H14Cl2N6O2 and a molecular weight of 357.20 g/mol. Its IUPAC name is 5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide
PubChem CID134564349
Molecular FormulaC13H14Cl2N6O2
Molecular Weight357.20 g/mol
Exact Mass356.06
IUPAC Name5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide
SMILESCN(C)c1nn(-c2c(Cl)cc(C(N)=O)cc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C13H14Cl2N6O2/c1-20(2)13-8(12(18)23)10(16)21(19-13)9-6(14)3-5(11(17)22)4-7(9)15/h3-4H,16H2,1-2H3,(H2,17,22)(H2,18,23)
InChIKeyXESDIKIYDQLEPI-UHFFFAOYSA-N
XLogP1.03
TPSA133.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-5,6-dimethyl-1-(2,4,6-trichlorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 5330021
5-Amino-4-carbamoyl-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-trifluoromethylpyrazole
CID 10223062
1-[2,6-Dichloro-4-(trifluoromethyl)phenyl]-5-(dimethylamino)-3-methylpyrazole-4-carbaldehyde
CID 19778272
5-amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-3-methyl-1H-pyrazole-4-carboxaldehyde
CID 19778312
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-methylpyrazole-4-carbothioic S-acid
CID 88063544
3-amino-2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136629113
1-[3-Amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(methoxyamino)pyrazol-4-yl]ethanone
CID 153711741
5-Amino-3-propyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
CID 11175453
5-Amino-3-ethyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
CID 11256086
5-Amino-3-isopropyl-1-(2,4,6-trichlorophenyl)pyrazole-4-carboxamide
CID 18540630
5-Amino-3-isopropyl-1-(2-chloro-6-methylphenyl)pyrazole-4-carboxamide
CID 18540656
5-amino-1-(2,6-dichlorophenyl)-3-isopropyl-1H-pyrazole-4-carboxylic acid amide
CID 18540666

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide (CID 134564349) is 5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide is CN(C)c1nn(-c2c(Cl)cc(C(N)=O)cc2Cl)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
The InChIKey is XESDIKIYDQLEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N6O2/c1-20(2)13-8(12(18)23)10(16)21(19-13)9-6(14)3-5(11(17)22)4-7(9)15/h3-4H,16H2,1-2H3,(H2,17,22)(H2,18,23).
What are the key properties of 5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide has a molecular weight of 357.20 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-carbamoyl-2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 134564349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).