3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride

C15H21ClN4O — CID 119727678

IUPAC3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NCc1ccnn1C)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-11(14(16)12-6-4-3-5-7-12)15(20)17-10-13-8-9-18-19(13)2;/h3-9,11,14H,10,16H2,1-2H3,(H,17,20);1H
InChIKeyGQSCGMXFDFZKSN-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.79
Rot. Bonds5

About 3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride

3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119727678) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119727678
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)NCc1ccnn1C)C(N)c1ccccc1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-11(14(16)12-6-4-3-5-7-12)15(20)17-10-13-8-9-18-19(13)2;/h3-9,11,14H,10,16H2,1-2H3,(H,17,20);1H
InChIKeyGQSCGMXFDFZKSN-UHFFFAOYSA-N
XLogP1.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
3-amino-N-[(5-ethylthiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119727868
3-amino-N-[(4-bromothiophen-2-yl)methyl]-2-methyl-3-phenylpropanamide
CID 80552252
3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 76989094
methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
CID 62108958
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19532217
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302394
3-amino-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119808558
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride (CID 119727678) is 3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride is CC(C(=O)NCc1ccnn1C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is GQSCGMXFDFZKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-11(14(16)12-6-4-3-5-7-12)15(20)17-10-13-8-9-18-19(13)2;/h3-9,11,14H,10,16H2,1-2H3,(H,17,20);1H.
What are the key properties of 3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119727678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).