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

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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).