N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide

C19H17F2N3O3 — CID 119042265

IUPACN-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)c3ccc(F)c(F)c3)[nH]n2)cc1OC
InChIInChI=1S/C19H17F2N3O3/c1-24(12-5-6-13(20)14(21)9-12)19(25)16-10-15(22-23-16)11-4-7-17(26-2)18(8-11)27-3/h4-10H,1-3H3,(H,22,23)
InChIKeyKOICGBJKLHOXGI-UHFFFAOYSA-N
MW373.36 g/mol
LogP3.65
Rot. Bonds5

About N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide

N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 119042265) has the molecular formula C19H17F2N3O3 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID119042265
Molecular FormulaC19H17F2N3O3
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC NameN-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)N(C)c3ccc(F)c(F)c3)[nH]n2)cc1OC
InChIInChI=1S/C19H17F2N3O3/c1-24(12-5-6-13(20)14(21)9-12)19(25)16-10-15(22-23-16)11-4-7-17(26-2)18(8-11)27-3/h4-10H,1-3H3,(H,22,23)
InChIKeyKOICGBJKLHOXGI-UHFFFAOYSA-N
XLogP3.65
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
1-(3,4-difluorophenyl)-3-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 123242993
2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid
CID 122067233
4-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119352752
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
3-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-pyrazole-5-carboxamide
CID 71704281
3-(3,4-dimethoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)-1H-pyrazole-5-carboxamide
CID 71701404
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
3-(3,4-dimethoxyphenyl)-N-[1-(4-phenylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 3944930
3-(3,4-dimethoxyphenyl)-N-[(3-fluorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 2046118
N-[(2,4-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 4297115

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide (CID 119042265) is N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)N(C)c3ccc(F)c(F)c3)[nH]n2)cc1OC.
What is the InChIKey of N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is KOICGBJKLHOXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O3/c1-24(12-5-6-13(20)14(21)9-12)19(25)16-10-15(22-23-16)11-4-7-17(26-2)18(8-11)27-3/h4-10H,1-3H3,(H,22,23).
What are the key properties of N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide?
N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 373.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119042265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).