(2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide

C8H14N4O — CID 124747356

IUPAC(2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide
SMILESCNC(=O)[C@@H](CN)c1cnn(C)c1
InChIInChI=1S/C8H14N4O/c1-10-8(13)7(3-9)6-4-11-12(2)5-6/h4-5,7H,3,9H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyRKTYXOANJUIGNT-ZETCQYMHSA-N
MW182.23 g/mol
LogP-0.79
Rot. Bonds3

About (2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide

(2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide (PubChem CID 124747356) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name(2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide
PubChem CID124747356
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide
SMILESCNC(=O)[C@@H](CN)c1cnn(C)c1
InChIInChI=1S/C8H14N4O/c1-10-8(13)7(3-9)6-4-11-12(2)5-6/h4-5,7H,3,9H2,1-2H3,(H,10,13)/t7-/m0/s1
InChIKeyRKTYXOANJUIGNT-ZETCQYMHSA-N
XLogP-0.79
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
methyl 4,4-difluoro-2-(1-methylpyrazol-4-yl)butanoate
CID 169116050
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-(1-methylpyrazol-4-yl)pentanoic acid
CID 83042529
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208
2-amino-N-(7-methyloctyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290422
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106328550

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of (2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide (CID 124747356) is (2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for (2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for (2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide is CNC(=O)[C@@H](CN)c1cnn(C)c1.
What is the InChIKey of (2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is RKTYXOANJUIGNT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14N4O/c1-10-8(13)7(3-9)6-4-11-12(2)5-6/h4-5,7H,3,9H2,1-2H3,(H,10,13)/t7-/m0/s1.
What are the key properties of (2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide?
(2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-N-methyl-2-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 124747356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).