4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid

C18H23N5O3 — CID 56904017

IUPAC4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
SMILESCc1nccn1C1(C(=O)O)CCN(C(=O)C2(Cn3cccn3)CC2)CC1
InChIInChI=1S/C18H23N5O3/c1-14-19-8-12-23(14)18(16(25)26)5-10-21(11-6-18)15(24)17(3-4-17)13-22-9-2-7-20-22/h2,7-9,12H,3-6,10-11,13H2,1H3,(H,25,26)
InChIKeyUFIAIRBRBTXSFE-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.27
Rot. Bonds5

About 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid

4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid (PubChem CID 56904017) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
PubChem CID56904017
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
SMILESCc1nccn1C1(C(=O)O)CCN(C(=O)C2(Cn3cccn3)CC2)CC1
InChIInChI=1S/C18H23N5O3/c1-14-19-8-12-23(14)18(16(25)26)5-10-21(11-6-18)15(24)17(3-4-17)13-22-9-2-7-20-22/h2,7-9,12H,3-6,10-11,13H2,1H3,(H,25,26)
InChIKeyUFIAIRBRBTXSFE-UHFFFAOYSA-N
XLogP1.27
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-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

Related Compounds

1-[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56912577
1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56895252
2-[4-[[4-(3-Cyano-3-ethyl-2-oxopyrrolidin-1-yl)pyrimidin-2-yl]amino]pyrazol-1-yl]acetic acid
CID 89863337
2-(4-((4-((3R)-3-cyano-3-ethyl-2-oxopyrrolidin-1-yl)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)-2-methylpropanoic acid hydrochloride
CID 117840128
2-[4-[[4-[(3R)-3-cyano-3-ethyl-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 117840129
2-(4-((4-((3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl)pyrimidin-2-yl)amino)-1H-pyrazol-1-yl)-2-methylpropanoic acid hydrochloride
CID 117840434
2-[4-[[4-[(3S)-3-cyano-3-cyclopropyl-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 117840435
1H-Pyrazole-1-acetic acid, 4-[[4-[(3R)-3-cyano-3-ethyl-2-oxo-1-pyrrolidinyl]-2-pyrimidinyl]amino]-
CID 117840574
4-(2-Methylimidazol-1-yl)-1-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-one
CID 53554458
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 53616441
4-(1H-imidazol-1-yl)-1-[2-methyl-6-(1H-pyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 56885257
1-[(1-methyl-1H-imidazol-5-yl)carbonyl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56887214

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid (CID 56904017) is 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid is Cc1nccn1C1(C(=O)O)CCN(C(=O)C2(Cn3cccn3)CC2)CC1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid?
The InChIKey is UFIAIRBRBTXSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-14-19-8-12-23(14)18(16(25)26)5-10-21(11-6-18)15(24)17(3-4-17)13-22-9-2-7-20-22/h2,7-9,12H,3-6,10-11,13H2,1H3,(H,25,26).
What are the key properties of 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid?
4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-1-[1-(pyrazol-1-ylmethyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56904017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).