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

C11H15F3N4O — CID 64524050

IUPAC3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H15F3N4O/c1-6(7-2-3-7)18(5-11(12,13)14)10(19)8-4-9(15)17-16-8/h4,6-7H,2-3,5H2,1H3,(H3,15,16,17)
InChIKeyLLRQTLVUZZDSGZ-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.79
Rot. Bonds4

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

3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (PubChem CID 64524050) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
PubChem CID64524050
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)c1cc(N)n[nH]1
InChIInChI=1S/C11H15F3N4O/c1-6(7-2-3-7)18(5-11(12,13)14)10(19)8-4-9(15)17-16-8/h4,6-7H,2-3,5H2,1H3,(H3,15,16,17)
InChIKeyLLRQTLVUZZDSGZ-UHFFFAOYSA-N
XLogP1.79
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide (CID 64524050) is 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is LLRQTLVUZZDSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6(7-2-3-7)18(5-11(12,13)14)10(19)8-4-9(15)17-16-8/h4,6-7H,2-3,5H2,1H3,(H3,15,16,17).
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).