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

C12H13Cl2N5O — CID 146673780

IUPAC5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide
SMILESCN(C)c1nn(-c2c(Cl)cccc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C12H13Cl2N5O/c1-18(2)12-8(11(16)20)10(15)19(17-12)9-6(13)4-3-5-7(9)14/h3-5H,15H2,1-2H3,(H2,16,20)
InChIKeyRVFNWBOSVHDMGQ-UHFFFAOYSA-N
MW314.18 g/mol
LogP1.93
Rot. Bonds3

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

5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide (PubChem CID 146673780) has the molecular formula C12H13Cl2N5O and a molecular weight of 314.18 g/mol. Its IUPAC name is 5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide
PubChem CID146673780
Molecular FormulaC12H13Cl2N5O
Molecular Weight314.18 g/mol
Exact Mass313.05
IUPAC Name5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide
SMILESCN(C)c1nn(-c2c(Cl)cccc2Cl)c(N)c1C(N)=O
InChIInChI=1S/C12H13Cl2N5O/c1-18(2)12-8(11(16)20)10(15)19(17-12)9-6(13)4-3-5-7(9)14/h3-5H,15H2,1-2H3,(H2,16,20)
InChIKeyRVFNWBOSVHDMGQ-UHFFFAOYSA-N
XLogP1.93
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide (CID 146673780) is 5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide is CN(C)c1nn(-c2c(Cl)cccc2Cl)c(N)c1C(N)=O.
What is the InChIKey of 5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
The InChIKey is RVFNWBOSVHDMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5O/c1-18(2)12-8(11(16)20)10(15)19(17-12)9-6(13)4-3-5-7(9)14/h3-5H,15H2,1-2H3,(H2,16,20).
What are the key properties of 5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide?
5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide has a molecular weight of 314.18 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,6-dichlorophenyl)-3-(dimethylamino)pyrazole-4-carboxamide is sourced from PubChem (CID 146673780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).