3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione

C13H18N4O2 — CID 146143412

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H18N4O2/c18-12-5-7-14-13(19)16(12)9-10-6-8-17(15-10)11-3-1-2-4-11/h6,8,11H,1-5,7,9H2,(H,14,19)
InChIKeySZLGTLDGGSYOJB-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.44
Rot. Bonds3

About 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione

3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 146143412) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
PubChem CID146143412
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCNC(=O)N1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H18N4O2/c18-12-5-7-14-13(19)16(12)9-10-6-8-17(15-10)11-3-1-2-4-11/h6,8,11H,1-5,7,9H2,(H,14,19)
InChIKeySZLGTLDGGSYOJB-UHFFFAOYSA-N
XLogP1.44
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
(5S)-5-tert-butyl-3-[(1-cyclopentylpyrazol-3-yl)methyl]imidazolidine-2,4-dione
CID 86783136
5-[(1-cyclopentylpyrazol-3-yl)methylamino]piperidin-2-one
CID 64798975
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 113259046
4-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-one
CID 83261545
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methyl-1,4-diazepan-2-one
CID 64777103
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66407470
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
2-[(1-cyclohexylpyrazol-3-yl)methyl]cycloheptan-1-one
CID 64785748

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione (CID 146143412) is 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione is O=C1CCNC(=O)N1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is SZLGTLDGGSYOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-12-5-7-14-13(19)16(12)9-10-6-8-17(15-10)11-3-1-2-4-11/h6,8,11H,1-5,7,9H2,(H,14,19).
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione?
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 262.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 146143412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).