5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine

C11H15N5 — CID 115371975

IUPAC5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1cc2nc(N3CCCNCC3)ccn2n1
InChIInChI=1S/C11H15N5/c1-4-12-6-9-15(7-1)10-3-8-16-11(14-10)2-5-13-16/h2-3,5,8,12H,1,4,6-7,9H2
InChIKeyFLJJWZNQAOOXMX-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.53
Rot. Bonds1

About 5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine

5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 115371975) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID115371975
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESc1cc2nc(N3CCCNCC3)ccn2n1
InChIInChI=1S/C11H15N5/c1-4-12-6-9-15(7-1)10-3-8-16-11(14-10)2-5-13-16/h2-3,5,8,12H,1,4,6-7,9H2
InChIKeyFLJJWZNQAOOXMX-UHFFFAOYSA-N
XLogP0.53
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 115372799
5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
CID 115372220
5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942753
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
CID 163343809
2-(1,4-diazepan-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 82276271
2-bromo-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 141379099
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
5-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942755
2-methyl-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)propan-1-amine
CID 115372179
5-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942593
N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine
CID 115371982

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine (CID 115371975) is 5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine is c1cc2nc(N3CCCNCC3)ccn2n1.
What is the InChIKey of 5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is FLJJWZNQAOOXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-4-12-6-9-15(7-1)10-3-8-16-11(14-10)2-5-13-16/h2-3,5,8,12H,1,4,6-7,9H2.
What are the key properties of 5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine?
5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 217.28 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 115371975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).