3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide

C18H32N4O — CID 46984910

IUPAC3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide
SMILESCC(C)(C)c1cc(CNC(=O)CCN2CCCCCCC2)[nH]n1
InChIInChI=1S/C18H32N4O/c1-18(2,3)16-13-15(20-21-16)14-19-17(23)9-12-22-10-7-5-4-6-8-11-22/h13H,4-12,14H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyFEFJZMNARHRQCC-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.98
Rot. Bonds5

About 3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide

3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide (PubChem CID 46984910) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide
PubChem CID46984910
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide
SMILESCC(C)(C)c1cc(CNC(=O)CCN2CCCCCCC2)[nH]n1
InChIInChI=1S/C18H32N4O/c1-18(2,3)16-13-15(20-21-16)14-19-17(23)9-12-22-10-7-5-4-6-8-11-22/h13H,4-12,14H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyFEFJZMNARHRQCC-UHFFFAOYSA-N
XLogP2.98
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide (CID 46984910) is 3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide is CC(C)(C)c1cc(CNC(=O)CCN2CCCCCCC2)[nH]n1.
What is the InChIKey of 3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide?
The InChIKey is FEFJZMNARHRQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-18(2,3)16-13-15(20-21-16)14-19-17(23)9-12-22-10-7-5-4-6-8-11-22/h13H,4-12,14H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide?
3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide has a molecular weight of 320.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-yl)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]propanamide is sourced from PubChem (CID 46984910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).