5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide

C17H13ClF2N4O2 — CID 118174017

IUPAC5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(F)cccc2F)cc1-c1ccc(OCCl)nc1
InChIInChI=1S/C17H13ClF2N4O2/c1-24-14(10-5-6-15(21-8-10)26-9-18)7-13(23-24)17(25)22-16-11(19)3-2-4-12(16)20/h2-8H,9H2,1H3,(H,22,25)
InChIKeyUREUGPGAUBXSEU-UHFFFAOYSA-N
MW378.77 g/mol
LogP3.59
Rot. Bonds5

About 5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide

5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 118174017) has the molecular formula C17H13ClF2N4O2 and a molecular weight of 378.77 g/mol. Its IUPAC name is 5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID118174017
Molecular FormulaC17H13ClF2N4O2
Molecular Weight378.77 g/mol
Exact Mass378.07
IUPAC Name5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)Nc2c(F)cccc2F)cc1-c1ccc(OCCl)nc1
InChIInChI=1S/C17H13ClF2N4O2/c1-24-14(10-5-6-15(21-8-10)26-9-18)7-13(23-24)17(25)22-16-11(19)3-2-4-12(16)20/h2-8H,9H2,1H3,(H,22,25)
InChIKeyUREUGPGAUBXSEU-UHFFFAOYSA-N
XLogP3.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.77
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
5-(4-chloro-6-methoxy-3-pyridinyl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide;N-(2,6-difluorophenyl)-5-[4-(dimethylamino)-6-methoxy-3-pyridinyl]-1-methylpyrazole-3-carboxamide
CID 159964397
N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide
CID 136992611
N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 118617243
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 91810757
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
N-(2,6-difluorophenyl)-5-[6-[2-(dimethylamino)-2-oxoethoxy]-4-methyl-1,2-dihydropyridin-3-yl]-1-methylpyrazole-3-carboxamide
CID 144864576
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
N-(2,6-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
CID 118609412

Frequently Asked Questions

What is the IUPAC name of 5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide (CID 118174017) is 5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)Nc2c(F)cccc2F)cc1-c1ccc(OCCl)nc1.
What is the InChIKey of 5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is UREUGPGAUBXSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O2/c1-24-14(10-5-6-15(21-8-10)26-9-18)7-13(23-24)17(25)22-16-11(19)3-2-4-12(16)20/h2-8H,9H2,1H3,(H,22,25).
What are the key properties of 5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide?
5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 378.77 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 118174017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).