3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid

C13H21N3O2 — CID 64785385

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H21N3O2/c1-15(8-7-13(17)18)10-11-6-9-16(14-11)12-4-2-3-5-12/h6,9,12H,2-5,7-8,10H2,1H3,(H,17,18)
InChIKeyAZSRPZJCXPLJKU-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.90
Rot. Bonds6

About 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid

3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid (PubChem CID 64785385) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
PubChem CID64785385
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H21N3O2/c1-15(8-7-13(17)18)10-11-6-9-16(14-11)12-4-2-3-5-12/h6,9,12H,2-5,7-8,10H2,1H3,(H,17,18)
InChIKeyAZSRPZJCXPLJKU-UHFFFAOYSA-N
XLogP1.90
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]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

4-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]butan-2-ol
CID 113259203
5-bromo-N-[(1-cyclohexylpyrazol-3-yl)methyl]-N-methylpentan-1-amine
CID 107204922
1-(1-cyclopentylpyrazol-3-yl)-4-(dimethylamino)butan-2-one
CID 113291145
2-[(1-cyclohexylpyrazol-3-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 64783644
2-[(2-amino-2-oxoethyl)-[(1-cyclohexylpyrazol-3-yl)methyl]amino]acetic acid
CID 107440267
2-[(1-cyclohexylpyrazol-3-yl)methyl-cyclopropylamino]acetic acid
CID 64784800
N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methyl-2-piperazin-1-ylethanamine
CID 64784047
3-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propanoic acid
CID 64801507
1-(3-bromocyclobutyl)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-N-methylmethanamine
CID 80690073
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
dimethyl 2-[(1-cyclopentylpyrazol-3-yl)methyl]propanedioate
CID 103972375

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid (CID 64785385) is 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid is CN(CCC(=O)O)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid?
The InChIKey is AZSRPZJCXPLJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15(8-7-13(17)18)10-11-6-9-16(14-11)12-4-2-3-5-12/h6,9,12H,2-5,7-8,10H2,1H3,(H,17,18).
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid?
3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 64785385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).