2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid

C15H23N3O2 — CID 64783454

IUPAC2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H23N3O2/c19-15(20)10-14-6-3-8-17(14)11-12-7-9-18(16-12)13-4-1-2-5-13/h7,9,13-14H,1-6,8,10-11H2,(H,19,20)
InChIKeyNEMFLXDRHKOHQZ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.44
Rot. Bonds5

About 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid

2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid (PubChem CID 64783454) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
PubChem CID64783454
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H23N3O2/c19-15(20)10-14-6-3-8-17(14)11-12-7-9-18(16-12)13-4-1-2-5-13/h7,9,13-14H,1-6,8,10-11H2,(H,19,20)
InChIKeyNEMFLXDRHKOHQZ-UHFFFAOYSA-N
XLogP2.44
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-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

2-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperidin-2-yl]acetic acid
CID 64771683
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]piperidin-3-yl]acetic acid
CID 64785777
N-[[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 64784555
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 64784425
2-[4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazin-1-yl]acetic acid
CID 64785188
ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 64778071
2-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]acetic acid
CID 115529605
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102681665
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 64785538
1-[(1-cyclopentylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83191883

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid (CID 64783454) is 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is NEMFLXDRHKOHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-15(20)10-14-6-3-8-17(14)11-12-7-9-18(16-12)13-4-1-2-5-13/h7,9,13-14H,1-6,8,10-11H2,(H,19,20).
What are the key properties of 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid?
2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 277.37 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 64783454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).