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

C14H19ClN4O — CID 119291636

IUPAC2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCl.Cn1nccc1CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H18N4O.ClH/c1-18-12(7-8-17-18)10-16-14(19)13(15)9-11-5-3-2-4-6-11;/h2-8,13H,9-10,15H2,1H3,(H,16,19);1H
InChIKeyOVJFGAMCAPOJGN-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.03
Rot. Bonds5

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

2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride (PubChem CID 119291636) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
PubChem CID119291636
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
SMILESCl.Cn1nccc1CNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H18N4O.ClH/c1-18-12(7-8-17-18)10-16-14(19)13(15)9-11-5-3-2-4-6-11;/h2-8,13H,9-10,15H2,1H3,(H,16,19);1H
InChIKeyOVJFGAMCAPOJGN-UHFFFAOYSA-N
XLogP1.03
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 91661830
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683
2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302394
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
2-amino-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;hydrochloride
CID 56832236
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-3-phenylpropanamide
CID 61164027
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119891833

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride (CID 119291636) is 2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride is Cl.Cn1nccc1CNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
The InChIKey is OVJFGAMCAPOJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-18-12(7-8-17-18)10-16-14(19)13(15)9-11-5-3-2-4-6-11;/h2-8,13H,9-10,15H2,1H3,(H,16,19);1H.
What are the key properties of 2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride?
2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119291636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).