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

C10H15F3N4O — CID 64523479

IUPAC3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C10H15F3N4O/c1-6(2)4-17(5-10(11,12)13)9(18)7-3-8(14)16-15-7/h3,6H,4-5H2,1-2H3,(H3,14,15,16)
InChIKeyIWYYXBYQGTWPGP-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.65
Rot. Bonds4

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

3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64523479) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID64523479
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C10H15F3N4O/c1-6(2)4-17(5-10(11,12)13)9(18)7-3-8(14)16-15-7/h3,6H,4-5H2,1-2H3,(H3,14,15,16)
InChIKeyIWYYXBYQGTWPGP-UHFFFAOYSA-N
XLogP1.65
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 64523479) is 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is IWYYXBYQGTWPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-6(2)4-17(5-10(11,12)13)9(18)7-3-8(14)16-15-7/h3,6H,4-5H2,1-2H3,(H3,14,15,16).
What are the key properties of 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64523479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).