(2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide

C17H26N4O2 — CID 86286284

IUPAC(2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cn[nH]c1)[C@@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H26N4O2/c22-16(18-9-8-13-11-19-20-12-13)15-7-4-10-21(15)17(23)14-5-2-1-3-6-14/h11-12,14-15H,1-10H2,(H,18,22)(H,19,20)/t15-/m0/s1
InChIKeyUAQSQJHVVLWEMN-HNNXBMFYSA-N
MW318.42 g/mol
LogP1.64
Rot. Bonds5

About (2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide

(2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 86286284) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID86286284
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cn[nH]c1)[C@@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C17H26N4O2/c22-16(18-9-8-13-11-19-20-12-13)15-7-4-10-21(15)17(23)14-5-2-1-3-6-14/h11-12,14-15H,1-10H2,(H,18,22)(H,19,20)/t15-/m0/s1
InChIKeyUAQSQJHVVLWEMN-HNNXBMFYSA-N
XLogP1.64
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide (CID 86286284) is (2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1cn[nH]c1)[C@@H]1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of (2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is UAQSQJHVVLWEMN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O2/c22-16(18-9-8-13-11-19-20-12-13)15-7-4-10-21(15)17(23)14-5-2-1-3-6-14/h11-12,14-15H,1-10H2,(H,18,22)(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide?
(2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohexanecarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 86286284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).