2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide

C17H22N4O2 — CID 51101511

IUPAC2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(COC1CCCCC1)Nc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C17H22N4O2/c22-17(13-23-15-7-2-1-3-8-15)19-16-9-11-21(20-16)12-14-6-4-5-10-18-14/h4-6,9-11,15H,1-3,7-8,12-13H2,(H,19,20,22)
InChIKeyCJNWPDPVAYUPPU-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.61
Rot. Bonds6

About 2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide

2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide (PubChem CID 51101511) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide
PubChem CID51101511
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(COC1CCCCC1)Nc1ccn(Cc2ccccn2)n1
InChIInChI=1S/C17H22N4O2/c22-17(13-23-15-7-2-1-3-8-15)19-16-9-11-21(20-16)12-14-6-4-5-10-18-14/h4-6,9-11,15H,1-3,7-8,12-13H2,(H,19,20,22)
InChIKeyCJNWPDPVAYUPPU-UHFFFAOYSA-N
XLogP2.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide (CID 51101511) is 2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide is O=C(COC1CCCCC1)Nc1ccn(Cc2ccccn2)n1.
What is the InChIKey of 2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is CJNWPDPVAYUPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(13-23-15-7-2-1-3-8-15)19-16-9-11-21(20-16)12-14-6-4-5-10-18-14/h4-6,9-11,15H,1-3,7-8,12-13H2,(H,19,20,22).
What are the key properties of 2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide?
2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 51101511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).