3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one

C13H16N4O — CID 113259046

IUPAC3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
SMILESO=c1ccncn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H16N4O/c18-13-5-7-14-10-16(13)9-11-6-8-17(15-11)12-3-1-2-4-12/h5-8,10,12H,1-4,9H2
InChIKeyTUDXRDULTCSJML-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.60
Rot. Bonds3

About 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one

3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one (PubChem CID 113259046) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
PubChem CID113259046
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
SMILESO=c1ccncn1Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C13H16N4O/c18-13-5-7-14-10-16(13)9-11-6-8-17(15-11)12-3-1-2-4-12/h5-8,10,12H,1-4,9H2
InChIKeyTUDXRDULTCSJML-UHFFFAOYSA-N
XLogP1.60
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]-4-methylpyridin-2-one
CID 116622567
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyridin-4-one
CID 116622240
(3S,4R)-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410698
1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrole-2-carbaldehyde
CID 66407470
3-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-diazinane-2,4-dione
CID 146143412
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperazine-2,6-dione
CID 66062253
1-[(1-cyclohexylpyrazol-3-yl)methyl]piperidine-4-carbaldehyde
CID 64776943
5-bromo-6-chloro-3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one
CID 114583419
5-amino-1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 64799958
4-[(1-cyclopentylpyrazol-3-yl)methyl]piperazine-1-sulfonamide
CID 75382047
1-cyclopentyl-3-[(2,3,4-trimethylpyrrol-1-yl)methyl]pyrazole
CID 64776963

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one?
The IUPAC name of 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one (CID 113259046) is 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one is O=c1ccncn1Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one?
The InChIKey is TUDXRDULTCSJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13-5-7-14-10-16(13)9-11-6-8-17(15-11)12-3-1-2-4-12/h5-8,10,12H,1-4,9H2.
What are the key properties of 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one?
3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one has a molecular weight of 244.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopentylpyrazol-3-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 113259046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).