2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide

C18H30N4O — CID 75404033

IUPAC2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccnn1CC1CCCCC1
InChIInChI=1S/C18H30N4O/c23-18(15-21-12-6-1-2-7-13-21)20-17-10-11-19-22(17)14-16-8-4-3-5-9-16/h10-11,16H,1-9,12-15H2,(H,20,23)
InChIKeyNKIHDPVSZWENJM-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.28
Rot. Bonds5

About 2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide

2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide (PubChem CID 75404033) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide
PubChem CID75404033
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide
SMILESO=C(CN1CCCCCC1)Nc1ccnn1CC1CCCCC1
InChIInChI=1S/C18H30N4O/c23-18(15-21-12-6-1-2-7-13-21)20-17-10-11-19-22(17)14-16-8-4-3-5-9-16/h10-11,16H,1-9,12-15H2,(H,20,23)
InChIKeyNKIHDPVSZWENJM-UHFFFAOYSA-N
XLogP3.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide (CID 75404033) is 2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide is O=C(CN1CCCCCC1)Nc1ccnn1CC1CCCCC1.
What is the InChIKey of 2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide?
The InChIKey is NKIHDPVSZWENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c23-18(15-21-12-6-1-2-7-13-21)20-17-10-11-19-22(17)14-16-8-4-3-5-9-16/h10-11,16H,1-9,12-15H2,(H,20,23).
What are the key properties of 2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide?
2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide has a molecular weight of 318.46 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-[2-(cyclohexylmethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 75404033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).