2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid

C9H15N3O2 — CID 82398939

IUPAC2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid
SMILESCc1cn(C)nc1CC(CN)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-6-5-12(2)11-8(6)3-7(4-10)9(13)14/h5,7H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyRKZKEYXJLQTCSI-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.07
Rot. Bonds4

About 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid

2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid (PubChem CID 82398939) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid
PubChem CID82398939
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid
SMILESCc1cn(C)nc1CC(CN)C(=O)O
InChIInChI=1S/C9H15N3O2/c1-6-5-12(2)11-8(6)3-7(4-10)9(13)14/h5,7H,3-4,10H2,1-2H3,(H,13,14)
InChIKeyRKZKEYXJLQTCSI-UHFFFAOYSA-N
XLogP-0.07
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic 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
3-(1-methyl-1H-pyrazol-3-yl)propanoic acid
CID 19622629
1-methyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 82409133
3-(1,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19616562
3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid
CID 19621371
1-ethyl-4,5,6,7-tetrahydro-1H-indazole-6-carboxylic acid
CID 84720322
2-amino-3-(1,3-dimethyl-1H-pyrazol-4-yl)propanoic acid dihydrochloride
CID 137964460
2-(1,4-dimethyl-1H-pyrazol-5-yl)acetic acid hydrochloride
CID 154857215
(1,4-dimethyl-1H-pyrazol-5-yl)acetic acid
CID 67530460
3-(1,4-dimethyl-1H-pyrazol-3-yl)-2,2-dimethylpropanoic acid
CID 165606116
3-(1,5-dimethyl-1H-pyrazol-4-yl)-2,2-dimethylpropanoic acid
CID 165833803

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid (CID 82398939) is 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid is Cc1cn(C)nc1CC(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid?
The InChIKey is RKZKEYXJLQTCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6-5-12(2)11-8(6)3-7(4-10)9(13)14/h5,7H,3-4,10H2,1-2H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid?
2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid has a molecular weight of 197.24 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(1,4-dimethylpyrazol-3-yl)propanoic acid is sourced from PubChem (CID 82398939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).