4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide

C29H24ClN3O2 — CID 19397955

IUPAC4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
SMILESCc1cc(OCc2ccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)cc2)ccc1Cl
InChIInChI=1S/C29H24ClN3O2/c1-20-15-26(13-14-28(20)30)35-19-21-9-11-23(12-10-21)29(34)32-25-16-31-33(18-25)17-24-7-4-6-22-5-2-3-8-27(22)24/h2-16,18H,17,19H2,1H3,(H,32,34)
InChIKeyWSJRRDZIRRPTLE-UHFFFAOYSA-N
MW481.98 g/mol
LogP6.88
Rot. Bonds7

About 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide

4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide (PubChem CID 19397955) has the molecular formula C29H24ClN3O2 and a molecular weight of 481.98 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
PubChem CID19397955
Molecular FormulaC29H24ClN3O2
Molecular Weight481.98 g/mol
Exact Mass481.16
IUPAC Name4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
SMILESCc1cc(OCc2ccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)cc2)ccc1Cl
InChIInChI=1S/C29H24ClN3O2/c1-20-15-26(13-14-28(20)30)35-19-21-9-11-23(12-10-21)29(34)32-25-16-31-33(18-25)17-24-7-4-6-22-5-2-3-8-27(22)24/h2-16,18H,17,19H2,1H3,(H,32,34)
InChIKeyWSJRRDZIRRPTLE-UHFFFAOYSA-N
XLogP6.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.98
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346885
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19397750
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399942
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19408812
4-chloro-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19399595
3-[(2,5-dimethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide
CID 19397968
5-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397917
5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397913
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19397626
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346889
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-4-[(2,6-dimethylphenoxy)methyl]benzamide
CID 19408605
4-[(2,6-dimethylphenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19410058

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide (CID 19397955) is 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide is Cc1cc(OCc2ccc(C(=O)Nc3cnn(Cc4cccc5ccccc45)c3)cc2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is WSJRRDZIRRPTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O2/c1-20-15-26(13-14-28(20)30)35-19-21-9-11-23(12-10-21)29(34)32-25-16-31-33(18-25)17-24-7-4-6-22-5-2-3-8-27(22)24/h2-16,18H,17,19H2,1H3,(H,32,34).
What are the key properties of 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide?
4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 481.98 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 19397955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).