3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

C10H15F3N4O — CID 146680579

IUPAC3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cn(CC(F)(F)F)nc1N
InChIInChI=1S/C10H15F3N4O/c1-3-6(2)15-9(18)7-4-17(16-8(7)14)5-10(11,12)13/h4,6H,3,5H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyBOVNJVPVVDYQIP-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.56
Rot. Bonds4

About 3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide

3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (PubChem CID 146680579) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
PubChem CID146680579
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cn(CC(F)(F)F)nc1N
InChIInChI=1S/C10H15F3N4O/c1-3-6(2)15-9(18)7-4-17(16-8(7)14)5-10(11,12)13/h4,6H,3,5H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyBOVNJVPVVDYQIP-UHFFFAOYSA-N
XLogP1.56
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-butan-2-yl-1-(2,2-difluoroethyl)pyrazole-4-carboxamide
CID 146680558
3-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680574
3-amino-N-butyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680580
3-amino-N-ethyl-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 146680585
3-chloro-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 170255025
1-(2,2,2-trifluoroethyl)pyrazole-3,4-diamine
CID 66509522
methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
CID 146155798
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
CID 122171294
3-amino-N-ethyl-1-propylpyrazole-4-carboxamide
CID 146680638
N-butan-2-yl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267656
N-butan-2-yl-4-methyl-1,2,4-triazole-3-carboxamide
CID 150062756
4-amino-N-butan-2-yl-2-(furan-2-yl)pyrimidine-5-carboxamide
CID 83567628

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide (CID 146680579) is 3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is CCC(C)NC(=O)c1cn(CC(F)(F)F)nc1N.
What is the InChIKey of 3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
The InChIKey is BOVNJVPVVDYQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-3-6(2)15-9(18)7-4-17(16-8(7)14)5-10(11,12)13/h4,6H,3,5H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide?
3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide has a molecular weight of 264.25 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146680579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).