azepan-1-yl-(2-propylpyrazol-3-yl)methanone

C13H21N3O — CID 35522312

IUPACazepan-1-yl-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCCCCC1
InChIInChI=1S/C13H21N3O/c1-2-9-16-12(7-8-14-16)13(17)15-10-5-3-4-6-11-15/h7-8H,2-6,9-11H2,1H3
InChIKeyPPYHVNJYXJLADO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.31
Rot. Bonds3

About azepan-1-yl-(2-propylpyrazol-3-yl)methanone

azepan-1-yl-(2-propylpyrazol-3-yl)methanone (PubChem CID 35522312) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is azepan-1-yl-(2-propylpyrazol-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(2-propylpyrazol-3-yl)methanone
PubChem CID35522312
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Nameazepan-1-yl-(2-propylpyrazol-3-yl)methanone
SMILESCCCn1nccc1C(=O)N1CCCCCC1
InChIInChI=1S/C13H21N3O/c1-2-9-16-12(7-8-14-16)13(17)15-10-5-3-4-6-11-15/h7-8H,2-6,9-11H2,1H3
InChIKeyPPYHVNJYXJLADO-UHFFFAOYSA-N
XLogP2.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 39855081
[(3R,4R)-3-(azepan-1-ylmethyl)-4-(hydroxymethyl)pyrrolidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 72930631
2-propylpyrazole-3-carboxylic acid
CID 7017775
[3-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56899449
2-methyl-2-piperidin-1-yl-1-(2-propylpyrazol-3-yl)butan-1-one
CID 79065501
(2-propylpyrazol-3-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956633
(2-propylpyrazol-3-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060145
2-cycloheptyl-1-(2-propylpyrazol-3-yl)ethanone
CID 114972245
[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 56860981
[3-(1-propylbenzimidazol-2-yl)piperidin-1-yl]-(2-propylpyrazol-3-yl)methanone
CID 91947211
(E)-1-(2-propylpyrazol-3-yl)but-2-en-1-one
CID 103453337
3-[5-(3-ethoxycarbonylpiperidine-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19491999

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(2-propylpyrazol-3-yl)methanone?
The IUPAC name of azepan-1-yl-(2-propylpyrazol-3-yl)methanone (CID 35522312) is azepan-1-yl-(2-propylpyrazol-3-yl)methanone.
What is the SMILES notation for azepan-1-yl-(2-propylpyrazol-3-yl)methanone?
The canonical SMILES for azepan-1-yl-(2-propylpyrazol-3-yl)methanone is CCCn1nccc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(2-propylpyrazol-3-yl)methanone?
The InChIKey is PPYHVNJYXJLADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-9-16-12(7-8-14-16)13(17)15-10-5-3-4-6-11-15/h7-8H,2-6,9-11H2,1H3.
What are the key properties of azepan-1-yl-(2-propylpyrazol-3-yl)methanone?
azepan-1-yl-(2-propylpyrazol-3-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(2-propylpyrazol-3-yl)methanone is sourced from PubChem (CID 35522312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).