5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide

C14H15F3N4O — CID 97137537

IUPAC5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)n[nH]1
InChIInChI=1S/C14H15F3N4O/c1-2-5-9-8-11(21-20-9)13(22)19-12(14(15,16)17)10-6-3-4-7-18-10/h3-4,6-8,12H,2,5H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyOGGYGYPHXFNONT-GFCCVEGCSA-N
MW312.30 g/mol
LogP2.79
Rot. Bonds5

About 5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide

5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide (PubChem CID 97137537) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is 5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide
PubChem CID97137537
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC Name5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)n[nH]1
InChIInChI=1S/C14H15F3N4O/c1-2-5-9-8-11(21-20-9)13(22)19-12(14(15,16)17)10-6-3-4-7-18-10/h3-4,6-8,12H,2,5H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1
InChIKeyOGGYGYPHXFNONT-GFCCVEGCSA-N
XLogP2.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide (CID 97137537) is 5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N[C@H](c2ccccn2)C(F)(F)F)n[nH]1.
What is the InChIKey of 5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is OGGYGYPHXFNONT-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-2-5-9-8-11(21-20-9)13(22)19-12(14(15,16)17)10-6-3-4-7-18-10/h3-4,6-8,12H,2,5H2,1H3,(H,19,22)(H,20,21)/t12-/m1/s1.
What are the key properties of 5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide?
5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 312.30 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97137537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).