(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide

C14H18N4O — CID 106105015

IUPAC(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
SMILESCn1ccc(CCNC(=O)[C@@H](N)c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-18-10-8-12(17-18)7-9-16-14(19)13(15)11-5-3-2-4-6-11/h2-6,8,10,13H,7,9,15H2,1H3,(H,16,19)/t13-/m0/s1
InChIKeyRQGSKOGJUJLHSG-ZDUSSCGKSA-N
MW258.32 g/mol
LogP0.78
Rot. Bonds5

About (2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide

(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide (PubChem CID 106105015) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
PubChem CID106105015
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide
SMILESCn1ccc(CCNC(=O)[C@@H](N)c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-18-10-8-12(17-18)7-9-16-14(19)13(15)11-5-3-2-4-6-11/h2-6,8,10,13H,7,9,15H2,1H3,(H,16,19)/t13-/m0/s1
InChIKeyRQGSKOGJUJLHSG-ZDUSSCGKSA-N
XLogP0.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]propanamide
CID 106104407
(2S)-2-amino-3-methyl-N-[2-[2-(1-methylpyrazol-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 106105106
3-amino-4,4-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pentanamide
CID 114143974
(2R)-2-amino-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-2-phenylacetamide
CID 114125272
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106106029
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 106104145
2-(2-aminoethoxy)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105100
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
5-[2-(1-methylpyrazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 104630849
2-[4-(aminomethyl)phenyl]-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106103870
2-[[2-(1-methylpyrazol-3-yl)ethylamino]methyl]benzoic acid
CID 114144038

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide (CID 106105015) is (2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide is Cn1ccc(CCNC(=O)[C@@H](N)c2ccccc2)n1.
What is the InChIKey of (2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide?
The InChIKey is RQGSKOGJUJLHSG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18-10-8-12(17-18)7-9-16-14(19)13(15)11-5-3-2-4-6-11/h2-6,8,10,13H,7,9,15H2,1H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide?
(2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide has a molecular weight of 258.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 106105015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).