(2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide

C8H14N4O2 — CID 131008225

IUPAC(2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1cc(=O)n(C)[nH]1
InChIInChI=1S/C8H14N4O2/c1-5(9)8(14)10-4-6-3-7(13)12(2)11-6/h3,5,11H,4,9H2,1-2H3,(H,10,14)/t5-/m1/s1
InChIKeyTWFSAGKEWVUXAO-RXMQYKEDSA-N
MW198.23 g/mol
LogP-1.32
Rot. Bonds3

About (2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide

(2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide (PubChem CID 131008225) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide
PubChem CID131008225
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name(2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide
SMILESC[C@@H](N)C(=O)NCc1cc(=O)n(C)[nH]1
InChIInChI=1S/C8H14N4O2/c1-5(9)8(14)10-4-6-3-7(13)12(2)11-6/h3,5,11H,4,9H2,1-2H3,(H,10,14)/t5-/m1/s1
InChIKeyTWFSAGKEWVUXAO-RXMQYKEDSA-N
XLogP-1.32
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(4-bromo-1H-pyrrol-2-yl)methyl]propanamide;hydrochloride
CID 130660319
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
3-methyl-2-(2-methyl-3-oxo-1H-pyrazol-5-yl)butanoic acid
CID 83847837
(2R)-2-amino-N-[(3,4-difluorophenyl)methyl]propanamide
CID 78973210
2-amino-N-[(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 119888547
(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
CID 119297040
2-amino-N-[(4-tert-butyl-2,6-dimethylphenyl)methyl]propanamide
CID 115152378
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
(2S)-2-amino-N-[(4-methylthiophen-2-yl)methyl]propanamide
CID 131107412
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
2-amino-N-[(2,4-dimethylphenyl)methyl]propanamide
CID 82126464
2-amino-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982177

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide (CID 131008225) is (2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide is C[C@@H](N)C(=O)NCc1cc(=O)n(C)[nH]1.
What is the InChIKey of (2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide?
The InChIKey is TWFSAGKEWVUXAO-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-5(9)8(14)10-4-6-3-7(13)12(2)11-6/h3,5,11H,4,9H2,1-2H3,(H,10,14)/t5-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide?
(2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide has a molecular weight of 198.23 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2-methyl-3-oxo-1H-pyrazol-5-yl)methyl]propanamide is sourced from PubChem (CID 131008225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).