4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

C12H19F3N4O — CID 66123211

IUPAC4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(CC(C)C)CC(F)(F)F)c1N
InChIInChI=1S/C12H19F3N4O/c1-7(2)5-19(6-12(13,14)15)11(20)10-9(16)8(3)17-18(10)4/h7H,5-6,16H2,1-4H3
InChIKeyCGMBXXVDHKOQLV-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.97
Rot. Bonds4

About 4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide

4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (PubChem CID 66123211) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
PubChem CID66123211
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC Name4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(CC(C)C)CC(F)(F)F)c1N
InChIInChI=1S/C12H19F3N4O/c1-7(2)5-19(6-12(13,14)15)11(20)10-9(16)8(3)17-18(10)4/h7H,5-6,16H2,1-4H3
InChIKeyCGMBXXVDHKOQLV-UHFFFAOYSA-N
XLogP1.97
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide (CID 66123211) is 4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(CC(C)C)CC(F)(F)F)c1N.
What is the InChIKey of 4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
The InChIKey is CGMBXXVDHKOQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-7(2)5-19(6-12(13,14)15)11(20)10-9(16)8(3)17-18(10)4/h7H,5-6,16H2,1-4H3.
What are the key properties of 4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide?
4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide has a molecular weight of 292.31 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 66123211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).