2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C14H13N5O2 — CID 135984528

IUPAC2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESNc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C14H13N5O2/c15-12-7-10(11-5-2-6-21-11)18-19(12)14-16-9-4-1-3-8(9)13(20)17-14/h2,5-7H,1,3-4,15H2,(H,16,17,20)
InChIKeyJBEYRVWDCXBVMG-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.29
Rot. Bonds2

About 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135984528) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135984528
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESNc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C14H13N5O2/c15-12-7-10(11-5-2-6-21-11)18-19(12)14-16-9-4-1-3-8(9)13(20)17-14/h2,5-7H,1,3-4,15H2,(H,16,17,20)
InChIKeyJBEYRVWDCXBVMG-UHFFFAOYSA-N
XLogP1.29
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]benzamide
CID 136615366
2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135984523
5-(furan-2-yl)-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-1,2-oxazole-3-carboxamide
CID 136615607
4-tert-butyl-N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]benzamide
CID 136615494
N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-phenoxyacetamide
CID 136615395
N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136615461
N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(trifluoromethyl)benzamide
CID 136615383
3-cyclohexyl-N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]propanamide
CID 136615328
N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]pentanamide
CID 136615468
N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 136615429
N-[3-(furan-2-yl)-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 136615401
N-[3-(furan-2-yl)-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-(trifluoromethyl)benzamide
CID 136615535

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135984528) is 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Nc1cc(-c2ccco2)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is JBEYRVWDCXBVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-12-7-10(11-5-2-6-21-11)18-19(12)14-16-9-4-1-3-8(9)13(20)17-14/h2,5-7H,1,3-4,15H2,(H,16,17,20).
What are the key properties of 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 283.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135984528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).