N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

C21H17N3O2 — CID 51046359

IUPACN-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C21H17N3O2/c1-26-20-12-5-4-11-17(20)22-21(25)19-13-18(23-24-19)16-10-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyUKXNWRPMDSKZSN-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.49
Rot. Bonds4

About N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 51046359) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
PubChem CID51046359
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C21H17N3O2/c1-26-20-12-5-4-11-17(20)22-21(25)19-13-18(23-24-19)16-10-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,22,25)(H,23,24)
InChIKeyUKXNWRPMDSKZSN-UHFFFAOYSA-N
XLogP4.49
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
CID 51046380
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
N-[3-(2-methoxyphenyl)prop-2-enylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 4213506
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
3-(2-methoxyphenyl)-N-(2-methyl-3-pyridinyl)-1H-pyrazole-5-carboxamide
CID 75512411
3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046352
N-(4-methylsulfonylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046431
3-naphthalen-1-yl-N-(3-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046351
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046391
N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046553
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (CID 51046359) is N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is COc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is UKXNWRPMDSKZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-20-12-5-4-11-17(20)22-21(25)19-13-18(23-24-19)16-10-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,22,25)(H,23,24).
What are the key properties of N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51046359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).