3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide

C15H20N4O — CID 80552053

IUPAC3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(C(=O)N(C)Cc1cn[nH]c1)C(N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-11(14(16)13-6-4-3-5-7-13)15(20)19(2)10-12-8-17-18-9-12/h3-9,11,14H,10,16H2,1-2H3,(H,17,18)
InChIKeyRCNYLEVDWZKJQI-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.70
Rot. Bonds5

About 3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide

3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 80552053) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID80552053
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(C(=O)N(C)Cc1cn[nH]c1)C(N)c1ccccc1
InChIInChI=1S/C15H20N4O/c1-11(14(16)13-6-4-3-5-7-13)15(20)19(2)10-12-8-17-18-9-12/h3-9,11,14H,10,16H2,1-2H3,(H,17,18)
InChIKeyRCNYLEVDWZKJQI-UHFFFAOYSA-N
XLogP1.70
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
4-amino-5-[methyl(1H-pyrazol-4-ylmethyl)amino]-5-oxopentanoic acid
CID 64889164
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 77016051
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
N,2-dimethyl-3-(methylamino)-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 79202997
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N,2-dimethyl-3-phenylpropanamide
CID 119835324
3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103812839

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 80552053) is 3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide is CC(C(=O)N(C)Cc1cn[nH]c1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is RCNYLEVDWZKJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(14(16)13-6-4-3-5-7-13)15(20)19(2)10-12-8-17-18-9-12/h3-9,11,14H,10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide is sourced from PubChem (CID 80552053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).