N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide

C32H25N3O — CID 142853975

IUPACN-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide
SMILESO=C(Nc1cc(-c2cccc3ccccc23)[nH]n1)C12CC3c4ccccc4C1c1ccccc1C3C2
InChIInChI=1S/C32H25N3O/c36-31(33-29-16-28(34-35-29)23-15-7-9-19-8-1-2-10-20(19)23)32-17-26-21-11-3-5-13-24(21)30(32)25-14-6-4-12-22(25)27(26)18-32/h1-16,26-27,30H,17-18H2,(H2,33,34,35,36)
InChIKeyVFPCLQYYHWHZAV-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.98
Rot. Bonds3

About N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide

N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide (PubChem CID 142853975) has the molecular formula C32H25N3O and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide.

Molecular Properties

Compound NameN-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide
PubChem CID142853975
Molecular FormulaC32H25N3O
Molecular Weight467.57 g/mol
Exact Mass467.20
IUPAC NameN-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide
SMILESO=C(Nc1cc(-c2cccc3ccccc23)[nH]n1)C12CC3c4ccccc4C1c1ccccc1C3C2
InChIInChI=1S/C32H25N3O/c36-31(33-29-16-28(34-35-29)23-15-7-9-19-8-1-2-10-20(19)23)32-17-26-21-11-3-5-13-24(21)30(32)25-14-6-4-12-22(25)27(26)18-32/h1-16,26-27,30H,17-18H2,(H2,33,34,35,36)
InChIKeyVFPCLQYYHWHZAV-UHFFFAOYSA-N
XLogP6.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide with MolForge

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Related Compounds

Pnu-292137
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CID 10872140
N-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-2-naphthalen-2-yl-acetamide
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CID 11130476
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylbiphenyl-4-yl)acetamide
CID 44563836
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-ylacetamide
CID 47038585
N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
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N-[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 18789299
N-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 18789317

Frequently Asked Questions

What is the IUPAC name of N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide?
The IUPAC name of N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide (CID 142853975) is N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide.
What is the SMILES notation for N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide?
The canonical SMILES for N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide is O=C(Nc1cc(-c2cccc3ccccc23)[nH]n1)C12CC3c4ccccc4C1c1ccccc1C3C2.
What is the InChIKey of N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide?
The InChIKey is VFPCLQYYHWHZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O/c36-31(33-29-16-28(34-35-29)23-15-7-9-19-8-1-2-10-20(19)23)32-17-26-21-11-3-5-13-24(21)30(32)25-14-6-4-12-22(25)27(26)18-32/h1-16,26-27,30H,17-18H2,(H2,33,34,35,36).
What are the key properties of N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide?
N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 6.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-naphthalen-1-yl-1H-pyrazol-3-yl)pentacyclo[8.8.0.02,7.08,12.013,18]octadeca-2,4,6,13,15,17-hexaene-10-carboxamide is sourced from PubChem (CID 142853975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).