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

C13H19F3N4O — CID 62080467

IUPAC4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C13H19F3N4O/c1-7(2)5-20(6-13(14,15)16)12(21)11-9(17)10(18-19-11)8-3-4-8/h7-8H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyAAUGXMMYHOHGNK-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.53
Rot. Bonds5

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

4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62080467) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID62080467
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C13H19F3N4O/c1-7(2)5-20(6-13(14,15)16)12(21)11-9(17)10(18-19-11)8-3-4-8/h7-8H,3-6,17H2,1-2H3,(H,18,19)
InChIKeyAAUGXMMYHOHGNK-UHFFFAOYSA-N
XLogP2.53
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 62080467) is 4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is AAUGXMMYHOHGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-7(2)5-20(6-13(14,15)16)12(21)11-9(17)10(18-19-11)8-3-4-8/h7-8H,3-6,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).