4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid

C10H15N3O2 — CID 121305419

IUPAC4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2cn[nH]c2)CC1
InChIInChI=1S/C10H15N3O2/c14-10(15)13-3-1-8(2-4-13)5-9-6-11-12-7-9/h6-8H,1-5H2,(H,11,12)(H,14,15)
InChIKeyYOYLESGPQYEXJS-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.34
Rot. Bonds2

About 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid

4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid (PubChem CID 121305419) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid
PubChem CID121305419
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2cn[nH]c2)CC1
InChIInChI=1S/C10H15N3O2/c14-10(15)13-3-1-8(2-4-13)5-9-6-11-12-7-9/h6-8H,1-5H2,(H,11,12)(H,14,15)
InChIKeyYOYLESGPQYEXJS-UHFFFAOYSA-N
XLogP1.34
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1H-pyrazol-4-ylmethyl)piperidine-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-methyl-4-(1H-pyrazol-4-yl)Piperidine
CID 83404347
3-(1H-pyrazol-4-yl)piperidine;2,2,2-trifluoroacetic acid
CID 175769991
tert-butyl 4-(5-fluoro-1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 178534229
tert-butyl 4-hydroxy-4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 54138196
tert-butyl 3-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 67996186
2-amino-2-methyl-3-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylic acid
CID 69602763
2-amino-1-(1H-pyrazol-4-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 69602839
1-amino-2-methyl-2-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 69602841
1-amino-2-(1H-pyrazol-4-ylmethyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 69602845
1-Methyl-3-(1H-pyrazol-4-yl)piperidine
CID 83404471
tert-butyl 4-(1H-pyrazol-4-yl)piperidine-1-carboxylate
CID 83404840
4-[(1H-pyrazol-4-yl)methyl]piperidine
CID 83480584

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid (CID 121305419) is 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid is O=C(O)N1CCC(Cc2cn[nH]c2)CC1.
What is the InChIKey of 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid?
The InChIKey is YOYLESGPQYEXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-10(15)13-3-1-8(2-4-13)5-9-6-11-12-7-9/h6-8H,1-5H2,(H,11,12)(H,14,15).
What are the key properties of 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid?
4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid has a molecular weight of 209.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-ylmethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 121305419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).