1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid

C13H21N3O2 — CID 81167888

IUPAC1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESCCC(C)n1ccc(CNC2(C(=O)O)CCC2)n1
InChIInChI=1S/C13H21N3O2/c1-3-10(2)16-8-5-11(15-16)9-14-13(12(17)18)6-4-7-13/h5,8,10,14H,3-4,6-7,9H2,1-2H3,(H,17,18)
InChIKeyWGQUJJPUJCOZJT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.95
Rot. Bonds6

About 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid

1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid (PubChem CID 81167888) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
PubChem CID81167888
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
SMILESCCC(C)n1ccc(CNC2(C(=O)O)CCC2)n1
InChIInChI=1S/C13H21N3O2/c1-3-10(2)16-8-5-11(15-16)9-14-13(12(17)18)6-4-7-13/h5,8,10,14H,3-4,6-7,9H2,1-2H3,(H,17,18)
InChIKeyWGQUJJPUJCOZJT-UHFFFAOYSA-N
XLogP1.95
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic 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

[1-[[(1-butan-2-ylpyrazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 115454619
2-[(1-butan-2-ylpyrazol-3-yl)methylamino]acetamide
CID 64801986
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 64785002
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194434
methyl 2-[(1-butan-2-ylpyrazol-3-yl)methylamino]propanoate
CID 64800871
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978887
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114616836
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79863680
(1S)-N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-cyclohexylethanamine
CID 81385024
4-[(1-butan-2-ylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 66091379
1-[1-(aminomethyl)cyclopropyl]-2-(1-butan-2-ylpyrazol-3-yl)ethanone
CID 116601130

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid (CID 81167888) is 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid is CCC(C)n1ccc(CNC2(C(=O)O)CCC2)n1.
What is the InChIKey of 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is WGQUJJPUJCOZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-10(2)16-8-5-11(15-16)9-14-13(12(17)18)6-4-7-13/h5,8,10,14H,3-4,6-7,9H2,1-2H3,(H,17,18).
What are the key properties of 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid?
1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-ylpyrazol-3-yl)methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).