7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine

C15H22N4 — CID 56900706

IUPAC7-(azepan-1-yl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C
InChIInChI=1S/C15H22N4/c1-11-10-14(18-8-6-4-5-7-9-18)19-15(16-11)12(2)13(3)17-19/h10H,4-9H2,1-3H3
InChIKeyFGBJCVNCVMUXPW-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.10
Rot. Bonds1

About 7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine

7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 56900706) has the molecular formula C15H22N4 and a molecular weight of 258.36 g/mol. Its IUPAC name is 7-(azepan-1-yl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine
PubChem CID56900706
Molecular FormulaC15H22N4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Name7-(azepan-1-yl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine
SMILESCC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C
InChIInChI=1S/C15H22N4/c1-11-10-14(18-8-6-4-5-7-9-18)19-15(16-11)12(2)13(3)17-19/h10H,4-9H2,1-3H3
InChIKeyFGBJCVNCVMUXPW-UHFFFAOYSA-N
XLogP3.10
TPSA33.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity301

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Trapidil
CID 5531
7-(4-Cyclohexylpiperazin-1-yl)-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5308814
2,5-Dimethyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 5308906
5-Methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine
CID 12366048
5,6-Dimethylpyrazolo[1,5-A]pyrimidine
CID 49761390
2,5,6,7-Tetramethylpyrazolo[1,5-a]pyrimidine
CID 763536
2,5-Dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2768096
2-Ethyl-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 4568581
N,N-diethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 12366050
3-ethyl-5-methyl-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 44317959
N-cyclopentyl-N'-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-N,N'-dimethyl-1,2-ethanediamine
CID 56887823
(9aS)-2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)octahydro-1H-pyrrolo[1,2-a][1,4]diazepine
CID 56893403

Frequently Asked Questions

What is the IUPAC name of 7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine (CID 56900706) is 7-(azepan-1-yl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine is CC1=NC2=C(C(=NN2C(=C1)N3CCCCCC3)C)C.
What is the InChIKey of 7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is FGBJCVNCVMUXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-11-10-14(18-8-6-4-5-7-9-18)19-15(16-11)12(2)13(3)17-19/h10H,4-9H2,1-3H3.
What are the key properties of 7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine?
7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 258.36 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-Azepanyl)-2,3,5-trimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 56900706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).