3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide

C22H19N3O2 — CID 25403898

IUPAC3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C22H19N3O2/c26-21-13-19-5-2-1-4-18(19)12-20(21)22(27)23-14-16-6-8-17(9-7-16)15-25-11-3-10-24-25/h1-13,26H,14-15H2,(H,23,27)
InChIKeyFZKPOSIIBUKBOK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.72
Rot. Bonds5

About 3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide

3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide (PubChem CID 25403898) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
PubChem CID25403898
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
SMILESO=C(NCc1ccc(Cn2cccn2)cc1)c1cc2ccccc2cc1O
InChIInChI=1S/C22H19N3O2/c26-21-13-19-5-2-1-4-18(19)12-20(21)22(27)23-14-16-6-8-17(9-7-16)15-25-11-3-10-24-25/h1-13,26H,14-15H2,(H,23,27)
InChIKeyFZKPOSIIBUKBOK-UHFFFAOYSA-N
XLogP3.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(pyrazol-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 18136267
2-chloro-4-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17486644
2-[(4-chlorophenyl)methoxy]-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 16573030
4-ethoxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 25403941
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 47029137
3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55909509
2-methylsulfanyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 47125027
2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 60584922
N-[4-(pyrazol-1-ylmethyl)phenyl]benzo[f]quinoline-5-carboxamide
CID 55970824
2-benzyl-1,3-dioxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]isoindole-5-carboxamide
CID 38346112
N-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 86855433

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide (CID 25403898) is 3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide is O=C(NCc1ccc(Cn2cccn2)cc1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide?
The InChIKey is FZKPOSIIBUKBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21-13-19-5-2-1-4-18(19)12-20(21)22(27)23-14-16-6-8-17(9-7-16)15-25-11-3-10-24-25/h1-13,26H,14-15H2,(H,23,27).
What are the key properties of 3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide?
3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 25403898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).