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

C9H13F3N4O — CID 64524831

IUPAC3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H13F3N4O/c1-2-3-16(5-9(10,11)12)8(17)6-4-7(13)15-14-6/h4H,2-3,5H2,1H3,(H3,13,14,15)
InChIKeyLEKNVUXFFXFGGY-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.41
Rot. Bonds4

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

3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524831) has the molecular formula C9H13F3N4O and a molecular weight of 250.22 g/mol. Its IUPAC name is 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID64524831
Molecular FormulaC9H13F3N4O
Molecular Weight250.22 g/mol
Exact Mass250.10
IUPAC Name3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C9H13F3N4O/c1-2-3-16(5-9(10,11)12)8(17)6-4-7(13)15-14-6/h4H,2-3,5H2,1H3,(H3,13,14,15)
InChIKeyLEKNVUXFFXFGGY-UHFFFAOYSA-N
XLogP1.41
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 64524831) is 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CCCN(CC(F)(F)F)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LEKNVUXFFXFGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O/c1-2-3-16(5-9(10,11)12)8(17)6-4-7(13)15-14-6/h4H,2-3,5H2,1H3,(H3,13,14,15).
What are the key properties of 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 250.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).