2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide

C16H22N4O — CID 119863717

IUPAC2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
SMILESCCN(Cc1cnn(C)c1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-20(12-14-10-18-19(2)11-14)16(21)15(17)9-13-7-5-4-6-8-13/h4-8,10-11,15H,3,9,12,17H2,1-2H3
InChIKeyRCHWBEVWNJIONA-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.34
Rot. Bonds6

About 2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide

2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide (PubChem CID 119863717) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
PubChem CID119863717
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide
SMILESCCN(Cc1cnn(C)c1)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C16H22N4O/c1-3-20(12-14-10-18-19(2)11-14)16(21)15(17)9-13-7-5-4-6-8-13/h4-8,10-11,15H,3,9,12,17H2,1-2H3
InChIKeyRCHWBEVWNJIONA-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119834031
3-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]butanamide
CID 120503339
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 111537345
2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119885181
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-3-phenyl-N-propylpropanamide;hydrochloride
CID 119280650
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
(2R)-2-amino-N-(cyclopropylmethyl)-N-ethyl-3-phenylpropanamide
CID 78954609
2-amino-3-(1-methylpyrazol-4-yl)propanoic acid;hydrochloride
CID 156589324
2-amino-N-ethyl-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 119863711
2-amino-N-benzyl-3-(1,3-dioxolan-2-yl)-N-ethylpropanamide
CID 136558524
2-amino-N-benzyl-N-ethylbutanediamide
CID 54928160

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide (CID 119863717) is 2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide is CCN(Cc1cnn(C)c1)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide?
The InChIKey is RCHWBEVWNJIONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-20(12-14-10-18-19(2)11-14)16(21)15(17)9-13-7-5-4-6-8-13/h4-8,10-11,15H,3,9,12,17H2,1-2H3.
What are the key properties of 2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide?
2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide has a molecular weight of 286.38 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 119863717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).