2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride

C15H22Cl2N4O — CID 119834031

IUPAC2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(Cc1cnn(C)c1)C(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-18(10-13-9-17-19(2)11-13)15(20)14(16)8-12-6-4-3-5-7-12;;/h3-7,9,11,14H,8,10,16H2,1-2H3;2*1H
InChIKeyVRVFTOGXHDRSAJ-UHFFFAOYSA-N
MW345.27 g/mol
LogP1.79
Rot. Bonds5

About 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride

2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride (PubChem CID 119834031) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
PubChem CID119834031
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC Name2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
SMILESCN(Cc1cnn(C)c1)C(=O)C(N)Cc1ccccc1.Cl.Cl
InChIInChI=1S/C15H20N4O.2ClH/c1-18(10-13-9-17-19(2)11-13)15(20)14(16)8-12-6-4-3-5-7-12;;/h3-7,9,11,14H,8,10,16H2,1-2H3;2*1H
InChIKeyVRVFTOGXHDRSAJ-UHFFFAOYSA-N
XLogP1.79
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
CID 119863717
(2S)-2-amino-N-[(4-ethylphenyl)methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119266895
2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide;dihydrochloride
CID 119834029
(2S)-2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]hexanamide
CID 93368050
(2R)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 31852023
2-amino-N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 43563682
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenoxypropanamide
CID 86917229
(2R)-2-amino-N,3,3-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 103929109
3-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 106111942
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 97193399

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride (CID 119834031) is 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride is CN(Cc1cnn(C)c1)C(=O)C(N)Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride?
The InChIKey is VRVFTOGXHDRSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c1-18(10-13-9-17-19(2)11-13)15(20)14(16)8-12-6-4-3-5-7-12;;/h3-7,9,11,14H,8,10,16H2,1-2H3;2*1H.
What are the key properties of 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride?
2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119834031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).