N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide

C20H30N6O2 — CID 137190612

IUPACN-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCCc1cnc(-c2nn(C3CCCCCO3)cc2NC(=O)N2CCCCC2)[nH]1
InChIInChI=1S/C20H30N6O2/c1-2-15-13-21-19(22-15)18-16(23-20(27)25-10-6-4-7-11-25)14-26(24-18)17-9-5-3-8-12-28-17/h13-14,17H,2-12H2,1H3,(H,21,22)(H,23,27)
InChIKeyUVYBCKHCRGKMJJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.94
Rot. Bonds4

About N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide

N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide (PubChem CID 137190612) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide
PubChem CID137190612
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC NameN-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide
SMILESCCc1cnc(-c2nn(C3CCCCCO3)cc2NC(=O)N2CCCCC2)[nH]1
InChIInChI=1S/C20H30N6O2/c1-2-15-13-21-19(22-15)18-16(23-20(27)25-10-6-4-7-11-25)14-26(24-18)17-9-5-3-8-12-28-17/h13-14,17H,2-12H2,1H3,(H,21,22)(H,23,27)
InChIKeyUVYBCKHCRGKMJJ-UHFFFAOYSA-N
XLogP3.94
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide (CID 137190612) is N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide is CCc1cnc(-c2nn(C3CCCCCO3)cc2NC(=O)N2CCCCC2)[nH]1.
What is the InChIKey of N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide?
The InChIKey is UVYBCKHCRGKMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-2-15-13-21-19(22-15)18-16(23-20(27)25-10-6-4-7-11-25)14-26(24-18)17-9-5-3-8-12-28-17/h13-14,17H,2-12H2,1H3,(H,21,22)(H,23,27).
What are the key properties of N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide?
N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1H-imidazol-2-yl)-1-(oxepan-2-yl)pyrazol-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 137190612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).