1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide

C15H17F3N4O — CID 166262738

IUPAC1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)NCCc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C15H17F3N4O/c1-2-8-22-9-6-13(21-22)14(23)19-7-5-12-4-3-11(10-20-12)15(16,17)18/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,19,23)
InChIKeyMIGHCLRPLXXWKM-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.68
Rot. Bonds6

About 1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide

1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide (PubChem CID 166262738) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide
PubChem CID166262738
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)NCCc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C15H17F3N4O/c1-2-8-22-9-6-13(21-22)14(23)19-7-5-12-4-3-11(10-20-12)15(16,17)18/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,19,23)
InChIKeyMIGHCLRPLXXWKM-UHFFFAOYSA-N
XLogP2.68
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide (CID 166262738) is 1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide is CCCn1ccc(C(=O)NCCc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide?
The InChIKey is MIGHCLRPLXXWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c1-2-8-22-9-6-13(21-22)14(23)19-7-5-12-4-3-11(10-20-12)15(16,17)18/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,19,23).
What are the key properties of 1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide?
1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide has a molecular weight of 326.32 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 166262738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).