N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide

C22H25N3O2 — CID 55897549

IUPACN-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCc1ccccc1OCCCN(C)C(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C22H25N3O2/c1-18-7-3-4-8-21(18)27-16-6-14-24(2)22(26)20-11-9-19(10-12-20)17-25-15-5-13-23-25/h3-5,7-13,15H,6,14,16-17H2,1-2H3
InChIKeyVPMKESNCOJZQTF-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.78
Rot. Bonds8

About N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide

N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 55897549) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID55897549
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCc1ccccc1OCCCN(C)C(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C22H25N3O2/c1-18-7-3-4-8-21(18)27-16-6-14-24(2)22(26)20-11-9-19(10-12-20)17-25-15-5-13-23-25/h3-5,7-13,15H,6,14,16-17H2,1-2H3
InChIKeyVPMKESNCOJZQTF-UHFFFAOYSA-N
XLogP3.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119298341
N'-[2-(2-methylphenoxy)acetyl]-4-(pyrazol-1-ylmethyl)benzohydrazide
CID 17437529
4-(acetamidomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120176
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 41358025
3-(2,3-dimethylphenoxy)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 55595653
N-ethyl-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 166191819
N-[(3-ethoxy-4-propoxyphenyl)methyl]-N-propyl-4-(pyrazol-1-ylmethyl)benzamide
CID 55502855
N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047303
N-[2-(3-ethylphenoxy)ethyl]-N-methyl-3-(pyrazol-1-ylmethyl)benzamide
CID 70720863
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-(pyrazol-1-ylmethyl)benzamide
CID 31984715
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
3-[(1-benzylpyrazol-4-yl)methyl]-1-methyl-1-[2-(2-methylphenoxy)ethyl]urea
CID 87007539

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide (CID 55897549) is N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide is Cc1ccccc1OCCCN(C)C(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is VPMKESNCOJZQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-18-7-3-4-8-21(18)27-16-6-14-24(2)22(26)20-11-9-19(10-12-20)17-25-15-5-13-23-25/h3-5,7-13,15H,6,14,16-17H2,1-2H3.
What are the key properties of N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide?
N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2-methylphenoxy)propyl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 55897549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).