N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide

C23H21N3O — CID 154576814

IUPACN-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide
SMILESCn1cc(-c2ccc(CCNC(=O)c3cccc4ccccc34)cc2)cn1
InChIInChI=1S/C23H21N3O/c1-26-16-20(15-25-26)18-11-9-17(10-12-18)13-14-24-23(27)22-8-4-6-19-5-2-3-7-21(19)22/h2-12,15-16H,13-14H2,1H3,(H,24,27)
InChIKeyJRWXTLSTTKUFQH-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.21
Rot. Bonds5

About N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide

N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide (PubChem CID 154576814) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide
PubChem CID154576814
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide
SMILESCn1cc(-c2ccc(CCNC(=O)c3cccc4ccccc34)cc2)cn1
InChIInChI=1S/C23H21N3O/c1-26-16-20(15-25-26)18-11-9-17(10-12-18)13-14-24-23(27)22-8-4-6-19-5-2-3-7-21(19)22/h2-12,15-16H,13-14H2,1H3,(H,24,27)
InChIKeyJRWXTLSTTKUFQH-UHFFFAOYSA-N
XLogP4.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
CID 154576781
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
2-bromo-5-methoxy-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]benzamide
CID 154576769
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 154576774
N-[2-(1-methylpyrazol-4-yl)ethyl]-1H-indole-3-carboxamide
CID 47381471
2-fluoro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122274311
2-(1-methylpyrazol-4-yl)-N-propylquinoline-4-carboxamide
CID 19513031
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296
2-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 51083364
1-(4-chlorophenyl)-N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 154576822
N-(2-methoxyethyl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19518443
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]naphthalene-1-carboxamide
CID 35573590

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide (CID 154576814) is N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide is Cn1cc(-c2ccc(CCNC(=O)c3cccc4ccccc34)cc2)cn1.
What is the InChIKey of N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide?
The InChIKey is JRWXTLSTTKUFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-26-16-20(15-25-26)18-11-9-17(10-12-18)13-14-24-23(27)22-8-4-6-19-5-2-3-7-21(19)22/h2-12,15-16H,13-14H2,1H3,(H,24,27).
What are the key properties of N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide?
N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methylpyrazol-4-yl)phenyl]ethyl]naphthalene-1-carboxamide is sourced from PubChem (CID 154576814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).