1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C17H13F3N4O2 — CID 43054929

IUPAC1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1=O
InChIInChI=1S/C17H13F3N4O2/c1-23-8-5-11(9-15(23)25)16(26)22-13-10-12(17(18,19)20)3-4-14(13)24-7-2-6-21-24/h2-10H,1H3,(H,22,26)
InChIKeyYUVMSRHKWFPTSB-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.84
Rot. Bonds3

About 1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide

1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 43054929) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID43054929
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCn1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1=O
InChIInChI=1S/C17H13F3N4O2/c1-23-8-5-11(9-15(23)25)16(26)22-13-10-12(17(18,19)20)3-4-14(13)24-7-2-6-21-24/h2-10H,1H3,(H,22,26)
InChIKeyYUVMSRHKWFPTSB-UHFFFAOYSA-N
XLogP2.84
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 43054929) is 1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is Cn1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1=O.
What is the InChIKey of 1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is YUVMSRHKWFPTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-23-8-5-11(9-15(23)25)16(26)22-13-10-12(17(18,19)20)3-4-14(13)24-7-2-6-21-24/h2-10H,1H3,(H,22,26).
What are the key properties of 1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 43054929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).