5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H23N3O — CID 172670586

IUPAC5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CCC2CCCCC2)nc2cc(C3CC3)[nH]n12
InChIInChI=1S/C17H23N3O/c21-17-10-14(9-6-12-4-2-1-3-5-12)18-16-11-15(13-7-8-13)19-20(16)17/h10-13,19H,1-9H2
InChIKeyICKAMLANJMIEJR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.41
Rot. Bonds4

About 5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 172670586) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID172670586
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CCC2CCCCC2)nc2cc(C3CC3)[nH]n12
InChIInChI=1S/C17H23N3O/c21-17-10-14(9-6-12-4-2-1-3-5-12)18-16-11-15(13-7-8-13)19-20(16)17/h10-13,19H,1-9H2
InChIKeyICKAMLANJMIEJR-UHFFFAOYSA-N
XLogP3.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271064
2-cyclohexyl-5-pyrrolidin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271147
5-(1-aminoethyl)-2-cyclohexyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271091
2-cyclopropyl-5-[(2,4-difluorophenyl)methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172666283
2-cyclopropyl-5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054445
2-methyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054457
2-ethyl-5-(2-pyrrolidin-3-ylethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115054456
tert-butyl 2-(5-cyclopropyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 76668485
ethyl 5-(cyclopentylmethyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 167206295
(6-cycloheptyl-5H-imidazo[1,2-b]pyrazol-2-yl)methanamine
CID 84795626
4-(2-cyclohexylethyl)-1H-pyrimidin-6-one
CID 137025535
2-(oxan-4-yl)-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92577551

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 172670586) is 5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1cc(CCC2CCCCC2)nc2cc(C3CC3)[nH]n12.
What is the InChIKey of 5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ICKAMLANJMIEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17-10-14(9-6-12-4-2-1-3-5-12)18-16-11-15(13-7-8-13)19-20(16)17/h10-13,19H,1-9H2.
What are the key properties of 5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 285.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-2-cyclopropyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 172670586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).