2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide

C14H18N4O — CID 104619330

IUPAC2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide
SMILESCCc1cn[nH]c1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H18N4O/c1-2-11-9-16-18-13(11)17-14(19)12(15)8-10-6-4-3-5-7-10/h3-7,9,12H,2,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyHZGQRXUWBDHBLV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.48
Rot. Bonds5

About 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide

2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide (PubChem CID 104619330) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide
PubChem CID104619330
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide
SMILESCCc1cn[nH]c1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H18N4O/c1-2-11-9-16-18-13(11)17-14(19)12(15)8-10-6-4-3-5-7-10/h3-7,9,12H,2,8,15H2,1H3,(H2,16,17,18,19)
InChIKeyHZGQRXUWBDHBLV-UHFFFAOYSA-N
XLogP1.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104619226
(2S)-2-amino-N-(5-methyl-1H-pyrazol-4-yl)-3-phenylpropanamide
CID 110837650
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)pent-4-enamide
CID 104619246
(2S)-2-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 61474780
(2R)-2-amino-N-(2,3,4,5,6-pentamethylphenyl)-3-phenylpropanamide
CID 124864491
2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(2S)-2-amino-N-ethoxy-3-phenylpropanamide
CID 64974630
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
2-amino-N-ethoxy-3-phenylpropanamide
CID 64974799
(2S)-2-amino-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
CID 104893301
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 104618999

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide (CID 104619330) is 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide is CCc1cn[nH]c1NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide?
The InChIKey is HZGQRXUWBDHBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-11-9-16-18-13(11)17-14(19)12(15)8-10-6-4-3-5-7-10/h3-7,9,12H,2,8,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide?
2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide has a molecular weight of 258.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethyl-1H-pyrazol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 104619330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).