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

C11H17F3N4O — CID 64524446

IUPAC3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H17F3N4O/c1-3-7(4-2)18(6-11(12,13)14)10(19)8-5-9(15)17-16-8/h5,7H,3-4,6H2,1-2H3,(H3,15,16,17)
InChIKeyPUUKAEURSSJCIC-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.18
Rot. Bonds5

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

3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524446) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID64524446
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H17F3N4O/c1-3-7(4-2)18(6-11(12,13)14)10(19)8-5-9(15)17-16-8/h5,7H,3-4,6H2,1-2H3,(H3,15,16,17)
InChIKeyPUUKAEURSSJCIC-UHFFFAOYSA-N
XLogP2.18
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 64524446) is 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is PUUKAEURSSJCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-3-7(4-2)18(6-11(12,13)14)10(19)8-5-9(15)17-16-8/h5,7H,3-4,6H2,1-2H3,(H3,15,16,17).
What are the key properties of 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 278.28 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).