1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol

C13H18N4O — CID 70757938

IUPAC1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol
SMILESCCc1cc(N2CC(O)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C13H18N4O/c1-4-10-5-12(16-6-11(18)7-16)17-13(14-10)8(2)9(3)15-17/h5,11,18H,4,6-7H2,1-3H3
InChIKeyHJXSXOMRVPLDDE-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.09
Rot. Bonds2

About 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol

1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol (PubChem CID 70757938) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol
PubChem CID70757938
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol
SMILESCCc1cc(N2CC(O)C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C13H18N4O/c1-4-10-5-12(16-6-11(18)7-16)17-13(14-10)8(2)9(3)15-17/h5,11,18H,4,6-7H2,1-3H3
InChIKeyHJXSXOMRVPLDDE-UHFFFAOYSA-N
XLogP1.09
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N-dimethylpyrrolidin-3-amine
CID 70778203
(3R)-1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carbonitrile
CID 95871825
5-ethyl-2,3-dimethyl-7-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 56899245
cyclohexyl-[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 56890932
2-[(2R)-1-(cyclopropylmethyl)-4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-2-yl]ethanol
CID 95867727
[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 70777521
[4-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 70705424
7-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine;dihydrochloride
CID 154894543
2-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]propan-1-ol
CID 56906125
(2S,6R)-4-(4-ethyl-11,13-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-6-yl)-2,6-dimethylmorpholine
CID 95808188
(3S)-N-ethyl-1-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-3-carboxamide
CID 95861950
(4R)-4-[(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-1-propylpyrrolidin-2-one
CID 95875756

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol?
The IUPAC name of 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol (CID 70757938) is 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol.
What is the SMILES notation for 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol?
The canonical SMILES for 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol is CCc1cc(N2CC(O)C2)n2nc(C)c(C)c2n1.
What is the InChIKey of 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol?
The InChIKey is HJXSXOMRVPLDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-10-5-12(16-6-11(18)7-16)17-13(14-10)8(2)9(3)15-17/h5,11,18H,4,6-7H2,1-3H3.
What are the key properties of 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol?
1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol has a molecular weight of 246.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-ol is sourced from PubChem (CID 70757938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).