3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide

C22H19N3O2 — CID 48575279

IUPAC3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1
InChIInChI=1S/C22H19N3O2/c1-23-22(26)20-14-25(18-6-4-3-5-7-18)24-21(20)16-9-8-15-10-11-19(27-2)13-17(15)12-16/h3-14H,1-2H3,(H,23,26)
InChIKeyJYVTYWHABLNASD-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.06
Rot. Bonds4

About 3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide

3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 48575279) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID48575279
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1
InChIInChI=1S/C22H19N3O2/c1-23-22(26)20-14-25(18-6-4-3-5-7-18)24-21(20)16-9-8-15-10-11-19(27-2)13-17(15)12-16/h3-14H,1-2H3,(H,23,26)
InChIKeyJYVTYWHABLNASD-UHFFFAOYSA-N
XLogP4.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
N'-(2,4-dimethoxybenzoyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512976
N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55669333
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
N-(2-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 23935617
N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55344475
3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735
N-(2-fluoro-5-methylphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 26881990
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid
CID 154750619
3-(4-methoxyphenyl)-1-phenyl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 55647189

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide (CID 48575279) is 3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide is CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc2ccc(OC)cc2c1.
What is the InChIKey of 3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is JYVTYWHABLNASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-23-22(26)20-14-25(18-6-4-3-5-7-18)24-21(20)16-9-8-15-10-11-19(27-2)13-17(15)12-16/h3-14H,1-2H3,(H,23,26).
What are the key properties of 3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide?
3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 48575279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).