2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride

C15H21ClN4O — CID 119296616

IUPAC2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CN.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-19(15(20)11-16)9-5-8-13-10-14(18-17-13)12-6-3-2-4-7-12;/h2-4,6-7,10H,5,8-9,11,16H2,1H3,(H,17,18);1H
InChIKeyWRPWGEIHDLXFMP-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.85
Rot. Bonds6

About 2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride

2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride (PubChem CID 119296616) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
PubChem CID119296616
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CN.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-19(15(20)11-16)9-5-8-13-10-14(18-17-13)12-6-3-2-4-7-12;/h2-4,6-7,10H,5,8-9,11,16H2,1H3,(H,17,18);1H
InChIKeyWRPWGEIHDLXFMP-UHFFFAOYSA-N
XLogP1.85
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-2-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]propanamide;hydrochloride
CID 120589459
2-(2-ethoxyphenoxy)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55970403
(2S)-2-amino-N,3,3-trimethyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanamide;hydrochloride
CID 119736665
N-methyl-2-(2-oxo-1-pyridinyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55814944
2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
CID 55970028
4-amino-N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]benzamide;hydrochloride
CID 119737086
N-methyl-2-(4-nitrophenyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55813861
N'-(2-cyanoethyl)-N-methyl-N'-phenyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]butanediamide
CID 56577930
N-methyl-N-[5-(3-phenyl-1H-pyrazol-5-yl)pentyl]-2-(4-sulfamoylphenyl)acetamide
CID 56553208
3-bromo-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]thiophene-2-carboxamide
CID 55969519
N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119736663
2,4-dichloro-N-[2-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-2-oxoethyl]benzamide
CID 60571055

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride (CID 119296616) is 2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CN.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride?
The InChIKey is WRPWGEIHDLXFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-19(15(20)11-16)9-5-8-13-10-14(18-17-13)12-6-3-2-4-7-12;/h2-4,6-7,10H,5,8-9,11,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride?
2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 119296616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).