1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H13F3N4O — CID 24711977

IUPAC1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)15-14(11-23-24(15)13-7-2-1-3-8-13)16(25)22-10-12-6-4-5-9-21-12/h1-9,11H,10H2,(H,22,25)
InChIKeyDQHULHSSZNLAGS-UHFFFAOYSA-N
MW346.31 g/mol
LogP3.22
Rot. Bonds4

About 1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 24711977) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID24711977
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NCc1ccccn1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H13F3N4O/c18-17(19,20)15-14(11-23-24(15)13-7-2-1-3-8-13)16(25)22-10-12-6-4-5-9-21-12/h1-9,11H,10H2,(H,22,25)
InChIKeyDQHULHSSZNLAGS-UHFFFAOYSA-N
XLogP3.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 24711977) is 1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NCc1ccccn1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is DQHULHSSZNLAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O/c18-17(19,20)15-14(11-23-24(15)13-7-2-1-3-8-13)16(25)22-10-12-6-4-5-9-21-12/h1-9,11H,10H2,(H,22,25).
What are the key properties of 1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 346.31 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24711977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).