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

C13H21F3N4O — CID 62075316

IUPAC4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1n[nH]c(CCC)c1N
InChIInChI=1S/C13H21F3N4O/c1-3-5-7-20(8-13(14,15)16)12(21)11-10(17)9(6-4-2)18-19-11/h3-8,17H2,1-2H3,(H,18,19)
InChIKeyUWVVWDXRQUBZOQ-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.75
Rot. Bonds7

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

4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62075316) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID62075316
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1n[nH]c(CCC)c1N
InChIInChI=1S/C13H21F3N4O/c1-3-5-7-20(8-13(14,15)16)12(21)11-10(17)9(6-4-2)18-19-11/h3-8,17H2,1-2H3,(H,18,19)
InChIKeyUWVVWDXRQUBZOQ-UHFFFAOYSA-N
XLogP2.75
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.75
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-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 62075316) is 4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1n[nH]c(CCC)c1N.
What is the InChIKey of 4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is UWVVWDXRQUBZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c1-3-5-7-20(8-13(14,15)16)12(21)11-10(17)9(6-4-2)18-19-11/h3-8,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-5-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).