1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

C12H11F3N4O — CID 58270525

IUPAC1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)3-5-17-11(20)9-6-18-19(8-9)10-2-1-4-16-7-10/h1-2,4,6-8H,3,5H2,(H,17,20)
InChIKeyDVRUOQMYWDBXGX-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.95
Rot. Bonds4

About 1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (PubChem CID 58270525) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
PubChem CID58270525
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)3-5-17-11(20)9-6-18-19(8-9)10-2-1-4-16-7-10/h1-2,4,6-8H,3,5H2,(H,17,20)
InChIKeyDVRUOQMYWDBXGX-UHFFFAOYSA-N
XLogP1.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The IUPAC name of 1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (CID 58270525) is 1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is O=C(NCCC(F)(F)F)c1cnn(-c2cccnc2)c1.
What is the InChIKey of 1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The InChIKey is DVRUOQMYWDBXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)3-5-17-11(20)9-6-18-19(8-9)10-2-1-4-16-7-10/h1-2,4,6-8H,3,5H2,(H,17,20).
What are the key properties of 1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58270525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).