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

C20H13Cl2N3O — CID 51046396

IUPACN-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C20H13Cl2N3O/c21-13-8-9-16(22)18(10-13)23-20(26)19-11-17(24-25-19)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,23,26)(H,24,25)
InChIKeyAUMANMFUYPFRRE-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.79
Rot. Bonds3

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

N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 51046396) has the molecular formula C20H13Cl2N3O and a molecular weight of 382.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
PubChem CID51046396
Molecular FormulaC20H13Cl2N3O
Molecular Weight382.25 g/mol
Exact Mass381.04
IUPAC NameN-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C20H13Cl2N3O/c21-13-8-9-16(22)18(10-13)23-20(26)19-11-17(24-25-19)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,23,26)(H,24,25)
InChIKeyAUMANMFUYPFRRE-UHFFFAOYSA-N
XLogP5.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046391
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046417
3-naphthalen-1-yl-N-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 51046352
ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
CID 51046380
N-(2-chloro-5-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920191
2,5-dichloro-N-naphthalen-1-ylbenzamide
CID 2166526
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
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920076

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (CID 51046396) is N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is AUMANMFUYPFRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O/c21-13-8-9-16(22)18(10-13)23-20(26)19-11-17(24-25-19)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,23,26)(H,24,25).
What are the key properties of N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 382.25 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51046396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).