2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride

C14H19ClN4O — CID 119702362

IUPAC2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-11(10-15-2)14(19)17-12-4-6-13(7-5-12)18-9-3-8-16-18;/h3-9,11,15H,10H2,1-2H3,(H,17,19);1H
InChIKeySJFYVWLYUZKDIR-UHFFFAOYSA-N
MW294.79 g/mol
LogP2.09
Rot. Bonds5

About 2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride

2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride (PubChem CID 119702362) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
PubChem CID119702362
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC Name2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
SMILESCNCC(C)C(=O)Nc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-11(10-15-2)14(19)17-12-4-6-13(7-5-12)18-9-3-8-16-18;/h3-9,11,15H,10H2,1-2H3,(H,17,19);1H
InChIKeySJFYVWLYUZKDIR-UHFFFAOYSA-N
XLogP2.09
TPSA58.95 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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
3-amino-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62671376
2-methyl-3-(methylamino)-N-(6-pyrazol-1-yl-3-pyridinyl)propanamide;dihydrochloride
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2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
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2-chloro-N-(4-pyrazol-1-ylphenyl)propanamide
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(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
(2R)-3-(4-chloropyrazol-1-yl)-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 35535310
2-amino-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 43704133
1-propan-2-yl-3-(4-pyrazol-1-ylphenyl)urea
CID 110748862
(2S)-2-amino-3,3-dimethyl-N-(4-pyrazol-1-ylphenyl)butanamide
CID 61177988
2-methyl-3-(methylamino)-N-[4-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]propanamide;hydrochloride
CID 119748794

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride (CID 119702362) is 2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride is CNCC(C)C(=O)Nc1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride?
The InChIKey is SJFYVWLYUZKDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-11(10-15-2)14(19)17-12-4-6-13(7-5-12)18-9-3-8-16-18;/h3-9,11,15H,10H2,1-2H3,(H,17,19);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119702362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).