N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

C20H13F2N3O — CID 51046391

IUPACN-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C20H13F2N3O/c21-16-9-8-13(10-17(16)22)23-20(26)19-11-18(24-25-19)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,23,26)(H,24,25)
InChIKeyJNRUZFHWHHAYOJ-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.76
Rot. Bonds3

About N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide

N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (PubChem CID 51046391) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
PubChem CID51046391
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC NameN-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(-c2cccc3ccccc23)n[nH]1
InChIInChI=1S/C20H13F2N3O/c21-16-9-8-13(10-17(16)22)23-20(26)19-11-18(24-25-19)15-7-3-5-12-4-1-2-6-14(12)15/h1-11H,(H,23,26)(H,24,25)
InChIKeyJNRUZFHWHHAYOJ-UHFFFAOYSA-N
XLogP4.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N-(3,4-difluorophenyl)-1H-pyrazole-5-carboxamide
CID 46920076
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-(2,5-dichlorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046396
3-(2-chlorophenyl)-N-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920100
N-[(4-fluorophenyl)methylideneamino]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 1390076
N-(2-methoxyphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046359
N-(3,4-difluorophenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802764
3-naphthalen-1-yl-N-(naphthalen-1-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1357967
N-(4-bromo-2-methylphenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046417
ethyl 2-[(3-naphthalen-1-yl-1H-pyrazole-5-carbonyl)amino]benzoate
CID 51046380

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide (CID 51046391) is N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(-c2cccc3ccccc23)n[nH]1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
The InChIKey is JNRUZFHWHHAYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O/c21-16-9-8-13(10-17(16)22)23-20(26)19-11-18(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-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide?
N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 51046391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).