7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine

C15H23N5 — CID 70732572

IUPAC7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCCNCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C15H23N5/c1-4-13-10-14(19-8-5-6-16-7-9-19)20-15(17-13)11(2)12(3)18-20/h10,16H,4-9H2,1-3H3
InChIKeyFYKJZUGMCPGVJL-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.71
Rot. Bonds2

About 7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine

7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 70732572) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID70732572
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCCc1cc(N2CCCNCC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C15H23N5/c1-4-13-10-14(19-8-5-6-16-7-9-19)20-15(17-13)11(2)12(3)18-20/h10,16H,4-9H2,1-3H3
InChIKeyFYKJZUGMCPGVJL-UHFFFAOYSA-N
XLogP1.71
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-Di-tert-butylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2060523
8-Pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53321947
8-Piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53324629
10-Azetidin-1-yl-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene
CID 53325935
2-(azepan-1-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 117929389
5-Tert-butyl-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 974687
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53320653
N-ethyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53324165
2-(azepan-1-yl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 118731854
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[2-(dimethylamino)ethyl]-2-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 117929423
5-isopropyl-N,2-dimethyl-N-[(1-methyl-2-pyrrolidinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889089

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine (CID 70732572) is 7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine is CCc1cc(N2CCCNCC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FYKJZUGMCPGVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-4-13-10-14(19-8-5-6-16-7-9-19)20-15(17-13)11(2)12(3)18-20/h10,16H,4-9H2,1-3H3.
What are the key properties of 7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine?
7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 273.38 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-diazepan-1-yl)-5-ethyl-2,3-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 70732572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).