3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide

C23H21N3O — CID 51046352

IUPAC3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1
InChIInChI=1S/C23H21N3O/c1-15(2)16-10-12-18(13-11-16)24-23(27)22-14-21(25-26-22)20-9-5-7-17-6-3-4-8-19(17)20/h3-15H,1-2H3,(H,24,27)(H,25,26)
InChIKeyJZAMYFSFXCRWCJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.61
Rot. Bonds4

About 3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide

3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 51046352) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID51046352
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1
InChIInChI=1S/C23H21N3O/c1-15(2)16-10-12-18(13-11-16)24-23(27)22-14-21(25-26-22)20-9-5-7-17-6-3-4-8-19(17)20/h3-15H,1-2H3,(H,24,27)(H,25,26)
InChIKeyJZAMYFSFXCRWCJ-UHFFFAOYSA-N
XLogP5.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-1-yl-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046351
N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046431
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046391
N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046396
N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046417
3-(2-hydroxyphenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 135555084
ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
CID 51046380
3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1357967
3-(2-hydroxy-3-methylphenyl)-N-(4-phenylphenyl)-1H-pyrazole-5-carboxamide
CID 135675392
N-(4-propan-2-ylphenyl)-1H-indazole-3-carboxamide
CID 42477807
3-(3-chlorophenyl)-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 46920141

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide (CID 51046352) is 3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide is CC(C)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1.
What is the InChIKey of 3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is JZAMYFSFXCRWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-15(2)16-10-12-18(13-11-16)24-23(27)22-14-21(25-26-22)20-9-5-7-17-6-3-4-8-19(17)20/h3-15H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide?
3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 5.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51046352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).