N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide

C14H24N4O — CID 86768685

IUPACN-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
SMILESCC(C)n1cc(NC(=O)N2CCCCCCC2)cn1
InChIInChI=1S/C14H24N4O/c1-12(2)18-11-13(10-15-18)16-14(19)17-8-6-4-3-5-7-9-17/h10-12H,3-9H2,1-2H3,(H,16,19)
InChIKeyXWYZEZYAFKEAJS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.26
Rot. Bonds2

About N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide

N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide (PubChem CID 86768685) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
PubChem CID86768685
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide
SMILESCC(C)n1cc(NC(=O)N2CCCCCCC2)cn1
InChIInChI=1S/C14H24N4O/c1-12(2)18-11-13(10-15-18)16-14(19)17-8-6-4-3-5-7-9-17/h10-12H,3-9H2,1-2H3,(H,16,19)
InChIKeyXWYZEZYAFKEAJS-UHFFFAOYSA-N
XLogP3.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 115671097
4,4-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)azepane-1-carboxamide
CID 71981500
4-(2,2-difluoroethyl)-N-(1-propan-2-ylpyrazol-4-yl)-1,4-diazepane-1-carboxamide
CID 84592535
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
2-[4-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 62901981
3-(2-methylpropoxy)-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 71970584
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
2-ethyl-6-methyl-N-(1-propan-2-ylpyrazol-4-yl)morpholine-4-carboxamide
CID 71864895
1-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 62904289
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
(2S)-2-(3-methoxypropyl)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-1-carboxamide
CID 126423565
N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055427

Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide?
The IUPAC name of N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide (CID 86768685) is N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide is CC(C)n1cc(NC(=O)N2CCCCCCC2)cn1.
What is the InChIKey of N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide?
The InChIKey is XWYZEZYAFKEAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(2)18-11-13(10-15-18)16-14(19)17-8-6-4-3-5-7-9-17/h10-12H,3-9H2,1-2H3,(H,16,19).
What are the key properties of N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide?
N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrazol-4-yl)azocane-1-carboxamide is sourced from PubChem (CID 86768685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).