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

C36H32ClF4N9O4 — CID 159964397

IUPAC5-(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
SMILESCOc1cc(Cl)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)cn1.COc1cc(N(C)C)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)cn1
InChIInChI=1S/C19H19F2N5O2.C17H13ClF2N4O2/c1-25(2)15-9-17(28-4)22-10-11(15)16-8-14(24-26(16)3)19(27)23-18-12(20)6-5-7-13(18)21;1-24-14(9-8-21-15(26-2)6-10(9)18)7-13(23-24)17(25)22-16-11(19)4-3-5-12(16)20/h5-10H,1-4H3,(H,23,27);3-8H,1-2H3,(H,22,25)
InChIKeyODSYQUHAKXNWSD-UHFFFAOYSA-N
MW766.16 g/mol
LogP6.76
Rot. Bonds9

About 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

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 (PubChem CID 159964397) has the molecular formula C36H32ClF4N9O4 and a molecular weight of 766.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID159964397
Molecular FormulaC36H32ClF4N9O4
Molecular Weight766.16 g/mol
Exact Mass765.22
IUPAC Name5-(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
SMILESCOc1cc(Cl)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)cn1.COc1cc(N(C)C)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)cn1
InChIInChI=1S/C19H19F2N5O2.C17H13ClF2N4O2/c1-25(2)15-9-17(28-4)22-10-11(15)16-8-14(24-26(16)3)19(27)23-18-12(20)6-5-7-13(18)21;1-24-14(9-8-21-15(26-2)6-10(9)18)7-13(23-24)17(25)22-16-11(19)4-3-5-12(16)20/h5-10H,1-4H3,(H,23,27);3-8H,1-2H3,(H,22,25)
InChIKeyODSYQUHAKXNWSD-UHFFFAOYSA-N
XLogP6.76
TPSA141.32 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.16
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
N,5-bis(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 90271466
5-[6-(chloromethoxy)-3-pyridinyl]-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 118174017
5-(2,2-difluoro-6-methyl-1,3-benzodioxol-5-yl)-N-(2,6-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 91810757
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
N-(2,6-difluorophenyl)-5-(6-ethoxy-4-oxo-1H-pyridin-3-yl)-1-methylpyrazole-3-carboxamide
CID 136992611
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
N-(2-fluoro-6-methylphenyl)-1-methyl-5-[2-methyl-5-(6-methyl-3-pyridinyl)thiophen-3-yl]pyrazole-3-carboxamide
CID 118617243
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-difluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazole-3-carboxamide
CID 118609412
5-bromo-N-(3,5-difluoro-4-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 118130809
N-(2,6-difluorophenyl)-3-(6-ethoxy-4-methoxy-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 118130752

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(Cl)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)cn1.COc1cc(N(C)C)c(-c2cc(C(=O)Nc3c(F)cccc3F)nn2C)cn1.
What is the InChIKey of 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?
The InChIKey is ODSYQUHAKXNWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O2.C17H13ClF2N4O2/c1-25(2)15-9-17(28-4)22-10-11(15)16-8-14(24-26(16)3)19(27)23-18-12(20)6-5-7-13(18)21;1-24-14(9-8-21-15(26-2)6-10(9)18)7-13(23-24)17(25)22-16-11(19)4-3-5-12(16)20/h5-10H,1-4H3,(H,23,27);3-8H,1-2H3,(H,22,25).
What are the key properties of 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?
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 has a molecular weight of 766.16 g/mol, XLogP of 6.76, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159964397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).