4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride

C22H27ClN4O — CID 119737086

IUPAC4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-26(22(27)18-11-13-19(23)14-12-18)15-7-3-6-10-20-16-21(25-24-20)17-8-4-2-5-9-17;/h2,4-5,8-9,11-14,16H,3,6-7,10,15,23H2,1H3,(H,24,25);1H
InChIKeyPRPNCCOZTQJQIP-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.57
Rot. Bonds8

About 4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride

4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride (PubChem CID 119737086) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
PubChem CID119737086
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC Name4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
SMILESCN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-26(22(27)18-11-13-19(23)14-12-18)15-7-3-6-10-20-16-21(25-24-20)17-8-4-2-5-9-17;/h2,4-5,8-9,11-14,16H,3,6-7,10,15,23H2,1H3,(H,24,25);1H
InChIKeyPRPNCCOZTQJQIP-UHFFFAOYSA-N
XLogP4.57
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55814053
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
CID 119296616
N-methyl-1,1,3-trioxo-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55960540
4-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-nitrobenzamide
CID 52692671
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide;hydrochloride
CID 119296837
3-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737084
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(methylsulfamoyl)benzamide
CID 55975551
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]piperidine-2-carboxamide
CID 119296838
N,2-dimethyl-3-nitro-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide
CID 60549883
2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
CID 120589459

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride (CID 119737086) is 4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride is CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride?
The InChIKey is PRPNCCOZTQJQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.ClH/c1-26(22(27)18-11-13-19(23)14-12-18)15-7-3-6-10-20-16-21(25-24-20)17-8-4-2-5-9-17;/h2,4-5,8-9,11-14,16H,3,6-7,10,15,23H2,1H3,(H,24,25);1H.
What are the key properties of 4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride?
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 4.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride is sourced from PubChem (CID 119737086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).