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

C12H10F3N5O2 — CID 68984465

IUPACN-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NCC(F)(F)F)c1ccccn1
InChIInChI=1S/C12H10F3N5O2/c13-12(14,15)6-17-11(22)9-8(5-18-20-9)19-10(21)7-3-1-2-4-16-7/h1-5H,6H2,(H,17,22)(H,18,20)(H,19,21)
InChIKeySXZXTCAPINGOGJ-UHFFFAOYSA-N
MW313.24 g/mol
LogP1.35
Rot. Bonds4

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

N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 68984465) has the molecular formula C12H10F3N5O2 and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID68984465
Molecular FormulaC12H10F3N5O2
Molecular Weight313.24 g/mol
Exact Mass313.08
IUPAC NameN-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NCC(F)(F)F)c1ccccn1
InChIInChI=1S/C12H10F3N5O2/c13-12(14,15)6-17-11(22)9-8(5-18-20-9)19-10(21)7-3-1-2-4-16-7/h1-5H,6H2,(H,17,22)(H,18,20)(H,19,21)
InChIKeySXZXTCAPINGOGJ-UHFFFAOYSA-N
XLogP1.35
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide (CID 68984465) is N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cn[nH]c1C(=O)NCC(F)(F)F)c1ccccn1.
What is the InChIKey of N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is SXZXTCAPINGOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O2/c13-12(14,15)6-17-11(22)9-8(5-18-20-9)19-10(21)7-3-1-2-4-16-7/h1-5H,6H2,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide?
N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 313.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 68984465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).