4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

C10H15F3N4O — CID 63102315

IUPAC4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H15F3N4O/c1-2-3-4-17(6-10(11,12)13)9(18)8-7(14)5-15-16-8/h5H,2-4,6,14H2,1H3,(H,15,16)
InChIKeySPQQUQACGHNCPZ-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.80
Rot. Bonds5

About 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide

4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 63102315) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID63102315
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1[nH]ncc1N
InChIInChI=1S/C10H15F3N4O/c1-2-3-4-17(6-10(11,12)13)9(18)8-7(14)5-15-16-8/h5H,2-4,6,14H2,1H3,(H,15,16)
InChIKeySPQQUQACGHNCPZ-UHFFFAOYSA-N
XLogP1.80
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 63102315) is 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1[nH]ncc1N.
What is the InChIKey of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is SPQQUQACGHNCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-2-3-4-17(6-10(11,12)13)9(18)8-7(14)5-15-16-8/h5H,2-4,6,14H2,1H3,(H,15,16).
What are the key properties of 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63102315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).