2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid

C8H13N3O2 — CID 82601631

IUPAC2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
SMILESCCc1nn(C)cc1C(N)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-3-6-5(4-11(2)10-6)7(9)8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13)
InChIKeyBGQHJPYFJJYUQX-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.07
Rot. Bonds3

About 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid

2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid (PubChem CID 82601631) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
PubChem CID82601631
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid
SMILESCCc1nn(C)cc1C(N)C(=O)O
InChIInChI=1S/C8H13N3O2/c1-3-6-5(4-11(2)10-6)7(9)8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13)
InChIKeyBGQHJPYFJJYUQX-UHFFFAOYSA-N
XLogP0.07
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)propanoic acid
CID 6485397
2-(1,4-dimethyl-1H-pyrazol-3-yl)acetic acid
CID 67528971
2-(1,3-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 49879438
2-(1,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 59229531
1-methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 77230337
2-methyl-4,5,6,7-tetrahydro-2H-indazole-4-carboxylic acid
CID 83906436
(RS)-2-amino-(5-ethyl-1-hydroxy-4-pyrazolyl)acetic acid
CID 44428730
(RS)-2-amino-(1-hydroxy-5-propyl-4-pyrazolyl)acetic acid
CID 44428731
(RS)-2-amino-(1-benzyloxy-5-butyl-4-pyrazolyl)acetic acid
CID 44428732
(RS)-2-amino-(1-hydroxy-5-pentyl-4-pyrazolyl)acetic acid
CID 44428733
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid (CID 82601631) is 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid is CCc1nn(C)cc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid?
The InChIKey is BGQHJPYFJJYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-6-5(4-11(2)10-6)7(9)8(12)13/h4,7H,3,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid?
2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid has a molecular weight of 183.21 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-ethyl-1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 82601631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).