N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide

C21H10Cl2F6N4O2 — CID 2781845

IUPACN-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide
SMILESO=C(Nc1cc(-c2ccco2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C21H10Cl2F6N4O2/c22-16-4-10(5-17(23)30-16)19(34)31-18-9-14(15-2-1-3-35-15)32-33(18)13-7-11(20(24,25)26)6-12(8-13)21(27,28)29/h1-9H,(H,31,34)
InChIKeyOVNCHTHGVAKYBU-UHFFFAOYSA-N
MW535.23 g/mol
LogP7.12
Rot. Bonds4

About N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide

N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide (PubChem CID 2781845) has the molecular formula C21H10Cl2F6N4O2 and a molecular weight of 535.23 g/mol. Its IUPAC name is N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide
PubChem CID2781845
Molecular FormulaC21H10Cl2F6N4O2
Molecular Weight535.23 g/mol
Exact Mass534.01
IUPAC NameN-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide
SMILESO=C(Nc1cc(-c2ccco2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C21H10Cl2F6N4O2/c22-16-4-10(5-17(23)30-16)19(34)31-18-9-14(15-2-1-3-35-15)32-33(18)13-7-11(20(24,25)26)6-12(8-13)21(27,28)29/h1-9H,(H,31,34)
InChIKeyOVNCHTHGVAKYBU-UHFFFAOYSA-N
XLogP7.12
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.23
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 653390
7-[chloro(difluoro)methyl]-N-(2,4-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045066
7-[chloro(difluoro)methyl]-N-(2,5-difluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045170
3-chloro-N-(3-chlorophenyl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113754
3-chloro-N-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113773
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045068
N-benzyl-3-chloro-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113768
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]cyclobutanecarboxamide
CID 2742771
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-(furan-2-yl)-1H-pyrazol-5-yl)-2,6-difluorobenzamide
CID 135955410
7-[chloro(difluoro)methyl]-N-(3-chloro-4-fluorophenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045794
7-(Chlorodifluoromethyl)-N-[(4-fluorophenyl)methyl]-5-(2-furanyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1046083
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1046225

Frequently Asked Questions

What is the IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide?
The IUPAC name of N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide (CID 2781845) is N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide.
What is the SMILES notation for N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide?
The canonical SMILES for N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide is O=C(Nc1cc(-c2ccco2)nn1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide?
The InChIKey is OVNCHTHGVAKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H10Cl2F6N4O2/c22-16-4-10(5-17(23)30-16)19(34)31-18-9-14(15-2-1-3-35-15)32-33(18)13-7-11(20(24,25)26)6-12(8-13)21(27,28)29/h1-9H,(H,31,34).
What are the key properties of N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide?
N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide has a molecular weight of 535.23 g/mol, XLogP of 7.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3,5-bis(trifluoromethyl)phenyl]-3-(furan-2-yl)pyrazol-5-yl]-2,6-dichloropyridine-4-carboxamide is sourced from PubChem (CID 2781845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).