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

C13H15N5O — CID 135984523

IUPAC2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESNc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C13H15N5O/c14-11-6-10(7-4-5-7)17-18(11)13-15-9-3-1-2-8(9)12(19)16-13/h6-7H,1-5,14H2,(H,15,16,19)
InChIKeyXVFCSZZLLFXGCY-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.90
Rot. Bonds2

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

2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 135984523) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID135984523
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESNc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C13H15N5O/c14-11-6-10(7-4-5-7)17-18(11)13-15-9-3-1-2-8(9)12(19)16-13/h6-7H,1-5,14H2,(H,15,16,19)
InChIKeyXVFCSZZLLFXGCY-UHFFFAOYSA-N
XLogP0.90
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-amino-3-(furan-2-yl)pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135984528
N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide
CID 135892239
3-chloro-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2,2-dimethylpropanamide
CID 135892241
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]adamantane-1-carboxamide
CID 135927380
N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-1-benzofuran-2-carboxamide
CID 135892262
2-(4-chlorophenoxy)-N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-methylpropanamide
CID 135892248
N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]-2-thiophen-2-ylacetamide
CID 135927395
2-(3-aminopiperidin-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136920533
N-cyclohexyl-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954203
cis-(1S,2R)-2-[[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]carbamoyl]cyclohexane-1-carboxylate
CID 135551948
iodomethyl 5-amino-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxylate
CID 145286939
2-chloro-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135551814

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 135984523) is 2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is XVFCSZZLLFXGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c14-11-6-10(7-4-5-7)17-18(11)13-15-9-3-1-2-8(9)12(19)16-13/h6-7H,1-5,14H2,(H,15,16,19).
What are the key properties of 2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 257.30 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-cyclopropylpyrazol-1-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 135984523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).