(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide

C14H18N4O2 — CID 104618065

IUPAC(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide
SMILESCCc1cc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-2-10-8-13(18-17-10)16-14(20)12(15)7-9-3-5-11(19)6-4-9/h3-6,8,12,19H,2,7,15H2,1H3,(H2,16,17,18,20)/t12-/m0/s1
InChIKeyQWDAQQMVWYSWFB-LBPRGKRZSA-N
MW274.32 g/mol
LogP1.19
Rot. Bonds5

About (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide

(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104618065) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104618065
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide
SMILESCCc1cc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)n[nH]1
InChIInChI=1S/C14H18N4O2/c1-2-10-8-13(18-17-10)16-14(20)12(15)7-9-3-5-11(19)6-4-9/h3-6,8,12,19H,2,7,15H2,1H3,(H2,16,17,18,20)/t12-/m0/s1
InChIKeyQWDAQQMVWYSWFB-LBPRGKRZSA-N
XLogP1.19
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)butanamide
CID 104617946
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylsulfanylbutanamide
CID 103950165
(2S)-2-amino-N-(2-ethylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61149131
(2S)-2-amino-N-(5-fluoro-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 65482263
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 61148539
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(4-ethyl-1H-pyrazol-5-yl)propanamide
CID 104619226
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
N-(5-ethyl-1H-pyrazol-3-yl)-4-(methoxymethyl)benzamide
CID 47423292
(2R)-2-amino-N-(2-chloro-5-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 107528596
(2S)-2-amino-N-[2-[(5-ethyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 104618040

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide (CID 104618065) is (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide is CCc1cc(NC(=O)[C@@H](N)Cc2ccc(O)cc2)n[nH]1.
What is the InChIKey of (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is QWDAQQMVWYSWFB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-10-8-13(18-17-10)16-14(20)12(15)7-9-3-5-11(19)6-4-9/h3-6,8,12,19H,2,7,15H2,1H3,(H2,16,17,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide?
(2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 274.32 g/mol, XLogP of 1.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104618065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).