5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine

C18H28N4 — CID 123319389

IUPAC5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2ccc(N3CCCCCC(C)(C)CCC3)nc12
InChIInChI=1S/C18H28N4/c1-15-14-19-22-13-8-16(20-17(15)22)21-11-6-4-5-9-18(2,3)10-7-12-21/h8,13-14H,4-7,9-12H2,1-3H3
InChIKeyUHUSMFXGVNOLPF-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.22
Rot. Bonds1

About 5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine

5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 123319389) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine
PubChem CID123319389
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cnn2ccc(N3CCCCCC(C)(C)CCC3)nc12
InChIInChI=1S/C18H28N4/c1-15-14-19-22-13-8-16(20-17(15)22)21-11-6-4-5-9-18(2,3)10-7-12-21/h8,13-14H,4-7,9-12H2,1-3H3
InChIKeyUHUSMFXGVNOLPF-UHFFFAOYSA-N
XLogP4.22
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 123303911
1-(5-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)ethanone
CID 170379383
3-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 134386222
3-propyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 134386294
5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
CID 134386283
acetylene;ethyl 5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 142589568
N-(3-methyloxiran-2-yl)-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-amine
CID 163575795
1-[5-(1,4-oxazepan-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 157339662
1-[5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158621438
4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 133323337
(Z)-N'-methyl-2-prop-1-en-2-yl-N-(5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)prop-1-ene-1,3-diamine
CID 166956717
1-(5-bromo-4-methyl-2-pyridinyl)-4,4-dimethylazepane
CID 114870455

Frequently Asked Questions

What is the IUPAC name of 5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine (CID 123319389) is 5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine is Cc1cnn2ccc(N3CCCCCC(C)(C)CCC3)nc12.
What is the InChIKey of 5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is UHUSMFXGVNOLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-15-14-19-22-13-8-16(20-17(15)22)21-11-6-4-5-9-18(2,3)10-7-12-21/h8,13-14H,4-7,9-12H2,1-3H3.
What are the key properties of 5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine?
5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 300.45 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,5-dimethylazecan-1-yl)-3-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 123319389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).