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

C15H21ClN4O — CID 119725281

IUPAC2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-12(10-16-2)15(20)17-11-13-4-6-14(7-5-13)19-9-3-8-18-19;/h3-9,12,16H,10-11H2,1-2H3,(H,17,20);1H
InChIKeyFKMHDVDAKHWMKJ-UHFFFAOYSA-N
MW308.81 g/mol
LogP1.77
Rot. Bonds6

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

2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride (PubChem CID 119725281) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
PubChem CID119725281
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCc1ccc(-n2cccn2)cc1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-12(10-16-2)15(20)17-11-13-4-6-14(7-5-13)19-9-3-8-18-19;/h3-9,12,16H,10-11H2,1-2H3,(H,17,20);1H
InChIKeyFKMHDVDAKHWMKJ-UHFFFAOYSA-N
XLogP1.77
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-(4-pyrazol-1-ylphenyl)propanamide;hydrochloride
CID 119702362
tert-butyl N-[(2S)-1-oxo-1-[(4-pyrazol-1-ylphenyl)methylamino]propan-2-yl]carbamate
CID 94462168
N-propan-2-yl-2-[(4-pyrazol-1-ylphenyl)methylamino]acetamide
CID 43232183
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
CID 71912710
1-amino-N-[(4-pyrazol-1-ylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119290430
4-methyl-2-[[(4-pyrazol-1-ylphenyl)methylamino]methyl]pentanoic acid
CID 122073068
N,N-dimethyl-4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide;hydrochloride
CID 119701723
1,2-dimethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydrobromide
CID 75532344
3-chloro-2-methyl-N-(4-pyrazol-1-ylphenyl)propanamide
CID 62726808
1-methyl-1-propyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 51100264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride (CID 119725281) is 2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride is CNCC(C)C(=O)NCc1ccc(-n2cccn2)cc1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is FKMHDVDAKHWMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-12(10-16-2)15(20)17-11-13-4-6-14(7-5-13)19-9-3-8-18-19;/h3-9,12,16H,10-11H2,1-2H3,(H,17,20);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 1.77, 6 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)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119725281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).