1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C17H25N5O2 — CID 56895252

IUPAC1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCCCCc1ncc(CN2CCC(C(=O)O)(n3cccn3)CC2)[nH]1
InChIInChI=1S/C17H25N5O2/c1-2-3-5-15-18-12-14(20-15)13-21-10-6-17(7-11-21,16(23)24)22-9-4-8-19-22/h4,8-9,12H,2-3,5-7,10-11,13H2,1H3,(H,18,20)(H,23,24)
InChIKeyANFURJMZSXCLMD-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.02
Rot. Bonds7

About 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56895252) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56895252
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESCCCCc1ncc(CN2CCC(C(=O)O)(n3cccn3)CC2)[nH]1
InChIInChI=1S/C17H25N5O2/c1-2-3-5-15-18-12-14(20-15)13-21-10-6-17(7-11-21,16(23)24)22-9-4-8-19-22/h4,8-9,12H,2-3,5-7,10-11,13H2,1H3,(H,18,20)(H,23,24)
InChIKeyANFURJMZSXCLMD-UHFFFAOYSA-N
XLogP2.02
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56895252) is 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is CCCCc1ncc(CN2CCC(C(=O)O)(n3cccn3)CC2)[nH]1.
What is the InChIKey of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is ANFURJMZSXCLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-2-3-5-15-18-12-14(20-15)13-21-10-6-17(7-11-21,16(23)24)22-9-4-8-19-22/h4,8-9,12H,2-3,5-7,10-11,13H2,1H3,(H,18,20)(H,23,24).
What are the key properties of 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 331.42 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butyl-1H-imidazol-5-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56895252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).