1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one

C15H24N4O — CID 64777103

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one
SMILESCC1NCCCN(Cc2ccn(C3CCCC3)n2)C1=O
InChIInChI=1S/C15H24N4O/c1-12-15(20)18(9-4-8-16-12)11-13-7-10-19(17-13)14-5-2-3-6-14/h7,10,12,14,16H,2-6,8-9,11H2,1H3
InChIKeyFFHSPEPOWDCVPA-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.71
Rot. Bonds3

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one (PubChem CID 64777103) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one
PubChem CID64777103
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one
SMILESCC1NCCCN(Cc2ccn(C3CCCC3)n2)C1=O
InChIInChI=1S/C15H24N4O/c1-12-15(20)18(9-4-8-16-12)11-13-7-10-19(17-13)14-5-2-3-6-14/h7,10,12,14,16H,2-6,8-9,11H2,1H3
InChIKeyFFHSPEPOWDCVPA-UHFFFAOYSA-N
XLogP1.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazin-2-one
CID 82877165
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 64833588
(3R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylpiperazine
CID 104975598
3-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperazin-2-one
CID 64777692
1-[(4-ethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258827
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-2-one
CID 63258734
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
CID 146143412
(5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
CID 86783136
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
1-[(3,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258782
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
1-[(2,4-dichlorophenyl)methyl]-3-methyl-1,4-diazepan-2-one
CID 63258906

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one (CID 64777103) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one is CC1NCCCN(Cc2ccn(C3CCCC3)n2)C1=O.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one?
The InChIKey is FFHSPEPOWDCVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-15(20)18(9-4-8-16-12)11-13-7-10-19(17-13)14-5-2-3-6-14/h7,10,12,14,16H,2-6,8-9,11H2,1H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 64777103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).