N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide

C13H12F3N5O2 — CID 11558920

IUPACN-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NCCC(F)(F)F)c1ccccn1
InChIInChI=1S/C13H12F3N5O2/c14-13(15,16)4-6-18-12(23)10-9(7-19-21-10)20-11(22)8-3-1-2-5-17-8/h1-3,5,7H,4,6H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyDDVXNYUDGYZYNA-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.74
Rot. Bonds5

About N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide

N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 11558920) has the molecular formula C13H12F3N5O2 and a molecular weight of 327.27 g/mol. Its IUPAC name is N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID11558920
Molecular FormulaC13H12F3N5O2
Molecular Weight327.27 g/mol
Exact Mass327.09
IUPAC NameN-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NCCC(F)(F)F)c1ccccn1
InChIInChI=1S/C13H12F3N5O2/c14-13(15,16)4-6-18-12(23)10-9(7-19-21-10)20-11(22)8-3-1-2-5-17-8/h1-3,5,7H,4,6H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyDDVXNYUDGYZYNA-UHFFFAOYSA-N
XLogP1.74
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide (CID 11558920) is N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cn[nH]c1C(=O)NCCC(F)(F)F)c1ccccn1.
What is the InChIKey of N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is DDVXNYUDGYZYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2/c14-13(15,16)4-6-18-12(23)10-9(7-19-21-10)20-11(22)8-3-1-2-5-17-8/h1-3,5,7H,4,6H2,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 327.27 g/mol, XLogP of 1.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,3,3-trifluoropropylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 11558920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).