1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one

C15H25N3O — CID 49064900

IUPAC1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCCCC1CCCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C15H25N3O/c1-2-5-14-6-3-10-17(12-7-14)15(19)8-13-18-11-4-9-16-18/h4,9,11,14H,2-3,5-8,10,12-13H2,1H3
InChIKeyOAYJCIAPRVYQAX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.70
Rot. Bonds5

About 1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one

1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one (PubChem CID 49064900) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one
PubChem CID49064900
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one
SMILESCCCC1CCCN(C(=O)CCn2cccn2)CC1
InChIInChI=1S/C15H25N3O/c1-2-5-14-6-3-10-17(12-7-14)15(19)8-13-18-11-4-9-16-18/h4,9,11,14H,2-3,5-8,10,12-13H2,1H3
InChIKeyOAYJCIAPRVYQAX-UHFFFAOYSA-N
XLogP2.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(Diethylaminomethyl)piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 53519876
N-(1-cyclopropylethyl)-N-methyl-3-pyrazol-1-ylpropanamide
CID 53523889
N-methyl-N-(4-methylpentan-2-yl)-3-pyrazol-1-ylpropanamide
CID 53524475
1-(4-((1H-pyrazol-1-yl)methyl)piperidin-1-yl)ethanone
CID 52906688
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinecarboxamide
CID 72846778
N-methyl-N-(4-methylcyclohexyl)-2-pyrazol-1-ylacetamide
CID 45805440
N-(cyclopentylmethyl)-3-pyrazol-1-ylpropanamide
CID 53523923
1-(Azepan-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 53526071
1-[(4S)-4-propan-2-ylazepan-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 100612517
1-[(3R)-3-fluoropyrrolidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 171097288
(2R)-3-cyclohexyl-2-methyl-1-pyrazol-1-ylpropan-1-one
CID 134967919
1-[2-methyl-3-(1H-pyrazol-1-yl)propanoyl]-4-(trifluoroacetyl)-1,4-diazepane
CID 131902329

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one (CID 49064900) is 1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one is CCCC1CCCN(C(=O)CCn2cccn2)CC1.
What is the InChIKey of 1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one?
The InChIKey is OAYJCIAPRVYQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-5-14-6-3-10-17(12-7-14)15(19)8-13-18-11-4-9-16-18/h4,9,11,14H,2-3,5-8,10,12-13H2,1H3.
What are the key properties of 1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one?
1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylazepan-1-yl)-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 49064900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).