5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C10H15F3N4O — CID 113288557

IUPAC5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cnn(C)c1N
InChIInChI=1S/C10H15F3N4O/c1-6(2)17(5-10(11,12)13)9(18)7-4-15-16(3)8(7)14/h4,6H,5,14H2,1-3H3
InChIKeyKDNIWJJYANCWFZ-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.42
Rot. Bonds3

About 5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 113288557) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID113288557
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cnn(C)c1N
InChIInChI=1S/C10H15F3N4O/c1-6(2)17(5-10(11,12)13)9(18)7-4-15-16(3)8(7)14/h4,6H,5,14H2,1-3H3
InChIKeyKDNIWJJYANCWFZ-UHFFFAOYSA-N
XLogP1.42
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319
5-amino-1-ethyl-1H-pyrazole-4-carboxamide
CID 15040077
5-amino-1-tert-butyl-1H-pyrazole-4-carboxamide
CID 21846075
1-ethyl-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135973583
1-cyclopropyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136559906
1-methyl-6-[[2-methylpropyl(propan-2-yl)amino]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136051700
1,5,6-Trimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 335483

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 113288557) is 5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is KDNIWJJYANCWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-6(2)17(5-10(11,12)13)9(18)7-4-15-16(3)8(7)14/h4,6H,5,14H2,1-3H3.
What are the key properties of 5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 113288557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).