3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride

C15H21ClN4O — CID 119949012

IUPAC3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
SMILESCc1nn(C)c(C)c1NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-10-15(11(2)19(3)18-10)17-14(20)9-13(16)12-7-5-4-6-8-12;/h4-8,13H,9,16H2,1-3H3,(H,17,20);1H
InChIKeyWPGKTDIUFFPNJV-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.49
Rot. Bonds4

About 3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride

3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride (PubChem CID 119949012) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
PubChem CID119949012
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
SMILESCc1nn(C)c(C)c1NC(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C15H20N4O.ClH/c1-10-15(11(2)19(3)18-10)17-14(20)9-13(16)12-7-5-4-6-8-12;/h4-8,13H,9,16H2,1-3H3,(H,17,20);1H
InChIKeyWPGKTDIUFFPNJV-UHFFFAOYSA-N
XLogP2.49
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119950099
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
CID 119953282
3-oxo-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110473196
3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19346499
2-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 61252081
4-oxo-4-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 20969113
3-amino-N-[1-(2-methoxyethyl)pyrazol-3-yl]-3-phenylpropanamide;hydrochloride
CID 119951054
2-[[(S)-cyclobutyl(phenyl)methyl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95312814
3-amino-N-(2,6-difluoro-3-methylphenyl)-3-phenylpropanamide
CID 82801709
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 2-phenylacetate
CID 7697898
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077
2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79128373

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride (CID 119949012) is 3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride is Cc1nn(C)c(C)c1NC(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride?
The InChIKey is WPGKTDIUFFPNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.ClH/c1-10-15(11(2)19(3)18-10)17-14(20)9-13(16)12-7-5-4-6-8-12;/h4-8,13H,9,16H2,1-3H3,(H,17,20);1H.
What are the key properties of 3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride?
3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride has a molecular weight of 308.81 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 119949012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).