3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide

C16H22N4O — CID 119886219

IUPAC3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCC(C(=O)N(C)CCn1cccn1)C(N)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(15(17)14-7-4-3-5-8-14)16(21)19(2)11-12-20-10-6-9-18-20/h3-10,13,15H,11-12,17H2,1-2H3
InChIKeyWEIVUSVSEAVCDA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.68
Rot. Bonds6

About 3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide

3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 119886219) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID119886219
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCC(C(=O)N(C)CCn1cccn1)C(N)c1ccccc1
InChIInChI=1S/C16H22N4O/c1-13(15(17)14-7-4-3-5-8-14)16(21)19(2)11-12-20-10-6-9-18-20/h3-10,13,15H,11-12,17H2,1-2H3
InChIKeyWEIVUSVSEAVCDA-UHFFFAOYSA-N
XLogP1.68
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-ethoxyethyl)-N,2-dimethyl-3-phenylpropanamide
CID 81059342
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
(3S)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide
CID 97269540
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
3-amino-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 119695394
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103812839
N-[(2S)-2-phenylpropyl]-3-pyrazol-1-ylpropanamide
CID 92707865
3-amino-N-[(3,4-dichlorophenyl)methyl]-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119683610
3-amino-N,2-dimethyl-3-phenyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 80552053

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of 3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide (CID 119886219) is 3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for 3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for 3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide is CC(C(=O)N(C)CCn1cccn1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is WEIVUSVSEAVCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-13(15(17)14-7-4-3-5-8-14)16(21)19(2)11-12-20-10-6-9-18-20/h3-10,13,15H,11-12,17H2,1-2H3.
What are the key properties of 3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide?
3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide has a molecular weight of 286.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethyl-3-phenyl-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 119886219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).