(2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride

C17H25ClN4O2 — CID 154914417

IUPAC(2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride
SMILESCCc1nn(C)c(NC(=O)[C@@H](N)Cc2ccc(OC)cc2)c1C.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-5-15-11(2)16(21(3)20-15)19-17(22)14(18)10-12-6-8-13(23-4)9-7-12;/h6-9,14H,5,10,18H2,1-4H3,(H,19,22);1H/t14-;/m0./s1
InChIKeyNMLBXTNALQOGNJ-UQKRIMTDSA-N
MW352.87 g/mol
LogP2.23
Rot. Bonds6

About (2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride

(2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride (PubChem CID 154914417) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride
PubChem CID154914417
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name(2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride
SMILESCCc1nn(C)c(NC(=O)[C@@H](N)Cc2ccc(OC)cc2)c1C.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-5-15-11(2)16(21(3)20-15)19-17(22)14(18)10-12-6-8-13(23-4)9-7-12;/h6-9,14H,5,10,18H2,1-4H3,(H,19,22);1H/t14-;/m0./s1
InChIKeyNMLBXTNALQOGNJ-UQKRIMTDSA-N
XLogP2.23
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24802313
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
[4-[(2S)-2-amino-3-(4-methoxyanilino)-3-oxopropyl]phenyl]boronic acid
CID 169082247
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 66750831
(2R)-2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid;(2S)-2-[[(2R)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-3-(4-methoxyphenyl)propanoic acid;methane
CID 160621097
5-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]-2-chloro-N-ethylbenzamide;hydrochloride
CID 154914912
3-ethyl-5-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4,5-diamine
CID 66014362
(2S)-2-amino-3-(4-methoxyphenyl)-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 157370728
methyl 2-[4-[(2S)-2-amino-3-[[1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxo-3-pyridinyl]amino]-3-oxopropyl]phenyl]acetate
CID 10885081
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
dimethyl (2S)-2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]amino]pentanedioate
CID 25188721

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride (CID 154914417) is (2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride is CCc1nn(C)c(NC(=O)[C@@H](N)Cc2ccc(OC)cc2)c1C.Cl.
What is the InChIKey of (2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is NMLBXTNALQOGNJ-UQKRIMTDSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-5-15-11(2)16(21(3)20-15)19-17(22)14(18)10-12-6-8-13(23-4)9-7-12;/h6-9,14H,5,10,18H2,1-4H3,(H,19,22);1H/t14-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride?
(2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-ethyl-2,4-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 154914417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).