2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide

C15H20N4O — CID 103006482

IUPAC2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
SMILESCn1nccc1CCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-19-13(8-10-18-19)7-9-17-15(20)14(16)11-12-5-3-2-4-6-12/h2-6,8,10,14H,7,9,11,16H2,1H3,(H,17,20)
InChIKeyLFPODQNQMIHLDA-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.65
Rot. Bonds6

About 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide

2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide (PubChem CID 103006482) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
PubChem CID103006482
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
SMILESCn1nccc1CCNC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C15H20N4O/c1-19-13(8-10-18-19)7-9-17-15(20)14(16)11-12-5-3-2-4-6-12/h2-6,8,10,14H,7,9,11,16H2,1H3,(H,17,20)
InChIKeyLFPODQNQMIHLDA-UHFFFAOYSA-N
XLogP0.65
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]pent-4-enamide
CID 103006628
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]hexanamide
CID 103006809
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylthiourea
CID 104693343
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide
CID 106397552
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide
CID 106397820
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide (CID 103006482) is 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide is Cn1nccc1CCNC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide?
The InChIKey is LFPODQNQMIHLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-13(8-10-18-19)7-9-17-15(20)14(16)11-12-5-3-2-4-6-12/h2-6,8,10,14H,7,9,11,16H2,1H3,(H,17,20).
What are the key properties of 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide?
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide has a molecular weight of 272.35 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 103006482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).