5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C16H9Cl2F3N4O — CID 46616651

IUPAC5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H9Cl2F3N4O/c17-11-6-9(8-22-14(11)18)15(26)24-12-7-10(16(19,20)21)2-3-13(12)25-5-1-4-23-25/h1-8H,(H,24,26)
InChIKeyNWFBLYGRQDFQKO-UHFFFAOYSA-N
MW401.18 g/mol
LogP4.85
Rot. Bonds3

About 5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 46616651) has the molecular formula C16H9Cl2F3N4O and a molecular weight of 401.18 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID46616651
Molecular FormulaC16H9Cl2F3N4O
Molecular Weight401.18 g/mol
Exact Mass400.01
IUPAC Name5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C16H9Cl2F3N4O/c17-11-6-9(8-22-14(11)18)15(26)24-12-7-10(16(19,20)21)2-3-13(12)25-5-1-4-23-25/h1-8H,(H,24,26)
InChIKeyNWFBLYGRQDFQKO-UHFFFAOYSA-N
XLogP4.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.18
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
4-(difluoromethoxy)-3-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725553
4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 55759697
2-phenyl-5-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 60554049
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26725545
2-(4-methoxyphenoxy)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725520
2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 51117583
ethyl 2-methyl-6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 55633563
2-(furan-2-yl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 36842338

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 46616651) is 5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is NWFBLYGRQDFQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N4O/c17-11-6-9(8-22-14(11)18)15(26)24-12-7-10(16(19,20)21)2-3-13(12)25-5-1-4-23-25/h1-8H,(H,24,26).
What are the key properties of 5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 401.18 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46616651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).