4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C10H15F3N4O — CID 55034306

IUPAC4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)CC(F)(F)F)c1N
InChIInChI=1S/C10H15F3N4O/c1-5(2)7-6(14)8(16-15-7)9(18)17(3)4-10(11,12)13/h5H,4,14H2,1-3H3,(H,15,16)
InChIKeyCRXQLSGRLVVHDI-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.75
Rot. Bonds3

About 4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 55034306) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID55034306
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)c1[nH]nc(C(=O)N(C)CC(F)(F)F)c1N
InChIInChI=1S/C10H15F3N4O/c1-5(2)7-6(14)8(16-15-7)9(18)17(3)4-10(11,12)13/h5H,4,14H2,1-3H3,(H,15,16)
InChIKeyCRXQLSGRLVVHDI-UHFFFAOYSA-N
XLogP1.75
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 55034306) is 4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CC(C)c1[nH]nc(C(=O)N(C)CC(F)(F)F)c1N.
What is the InChIKey of 4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CRXQLSGRLVVHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-5(2)7-6(14)8(16-15-7)9(18)17(3)4-10(11,12)13/h5H,4,14H2,1-3H3,(H,15,16).
What are the key properties of 4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-5-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).