2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide

C15H20N4O — CID 115291040

IUPAC2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCc1ccccc1[C@H](C)NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C15H20N4O/c1-10-6-4-5-7-13(10)11(2)18-15(20)14(16)12-8-17-19(3)9-12/h4-9,11,14H,16H2,1-3H3,(H,18,20)/t11-,14?/m0/s1
InChIKeyKNWJYKXYPQIMEA-ZSOXZCCMSA-N
MW272.35 g/mol
LogP1.61
Rot. Bonds4

About 2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115291040) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115291040
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCc1ccccc1[C@H](C)NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C15H20N4O/c1-10-6-4-5-7-13(10)11(2)18-15(20)14(16)12-8-17-19(3)9-12/h4-9,11,14H,16H2,1-3H3,(H,18,20)/t11-,14?/m0/s1
InChIKeyKNWJYKXYPQIMEA-ZSOXZCCMSA-N
XLogP1.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291042
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291021
2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289593
2-amino-N-[1-(furan-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289779
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291026
2-amino-N-[1-(3,4-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290403
2-amino-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106388433
(E)-N-[1-(2-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 18192277
3-amino-2-methyl-N-[1-(1-methylpyrazol-4-yl)ethyl]-3-phenylpropanamide
CID 119781515
2-amino-N-[1-(diethylamino)propan-2-yl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290558
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119293154

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 115291040) is 2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide is Cc1ccccc1[C@H](C)NC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is KNWJYKXYPQIMEA-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-6-4-5-7-13(10)11(2)18-15(20)14(16)12-8-17-19(3)9-12/h4-9,11,14H,16H2,1-3H3,(H,18,20)/t11-,14?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115291040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).