4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid

C26H24ClN3O4 — CID 174546186

IUPAC4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid
SMILESO=C(NC1CCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(-n2cccn2)cc1.O=CO
InChIInChI=1S/C25H22ClN3O2.CH2O2/c26-23-15-22(25(30)28-18-5-3-6-18)24(21-8-2-1-7-20(21)23)31-16-17-9-11-19(12-10-17)29-14-4-13-27-29;2-1-3/h1-2,4,7-15,18H,3,5-6,16H2,(H,28,30);1H,(H,2,3)
InChIKeyUMNZGROBARYOEB-UHFFFAOYSA-N
MW477.95 g/mol
LogP5.24
Rot. Bonds6

About 4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid

4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid (PubChem CID 174546186) has the molecular formula C26H24ClN3O4 and a molecular weight of 477.95 g/mol. Its IUPAC name is 4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid.

Molecular Properties

Compound Name4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid
PubChem CID174546186
Molecular FormulaC26H24ClN3O4
Molecular Weight477.95 g/mol
Exact Mass477.15
IUPAC Name4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid
SMILESO=C(NC1CCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(-n2cccn2)cc1.O=CO
InChIInChI=1S/C25H22ClN3O2.CH2O2/c26-23-15-22(25(30)28-18-5-3-6-18)24(21-8-2-1-7-20(21)23)31-16-17-9-11-19(12-10-17)29-14-4-13-27-29;2-1-3/h1-2,4,7-15,18H,3,5-6,16H2,(H,28,30);1H,(H,2,3)
InChIKeyUMNZGROBARYOEB-UHFFFAOYSA-N
XLogP5.24
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.95
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-1-[[4-(trifluoromethoxy)phenyl]methoxy]naphthalene-2-carboxamide;formic acid
CID 174532511
N-cyclobutyl-4-fluoro-1-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-2-carboxamide
CID 66701260
2-chloro-N-(oxan-4-yl)-5-pyrazol-1-ylbenzamide
CID 119060260
N-[(1S,2S)-2-hydroxycyclopentyl]-5-oxo-6-[(4-pyrazol-1-ylphenyl)methyl]-1,6-naphthyridine-8-carboxamide
CID 162772174
1-[(4-chloro-1-phenylmethoxynaphthalene-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 58370152
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 129017479
3-fluoro-N-(2-hydroxycyclohexyl)-2-methoxy-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 137404593
methyl (2S,4R)-4-[(2-chloro-5-pyrazol-1-ylbenzoyl)amino]-1-methylpyrrolidine-2-carboxylate
CID 50956226
N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
CID 42485205
2-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]-4-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 137404570
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid?
The IUPAC name of 4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid (CID 174546186) is 4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid.
What is the SMILES notation for 4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid?
The canonical SMILES for 4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid is O=C(NC1CCC1)c1cc(Cl)c2ccccc2c1OCc1ccc(-n2cccn2)cc1.O=CO.
What is the InChIKey of 4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid?
The InChIKey is UMNZGROBARYOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2.CH2O2/c26-23-15-22(25(30)28-18-5-3-6-18)24(21-8-2-1-7-20(21)23)31-16-17-9-11-19(12-10-17)29-14-4-13-27-29;2-1-3/h1-2,4,7-15,18H,3,5-6,16H2,(H,28,30);1H,(H,2,3).
What are the key properties of 4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid?
4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid has a molecular weight of 477.95 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclobutyl-1-[(4-pyrazol-1-ylphenyl)methoxy]naphthalene-2-carboxamide;formic acid is sourced from PubChem (CID 174546186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).