5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

C13H18N6 — CID 115372799

IUPAC5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESc1cc2nc(N3CCN(C4CNC4)CC3)ccn2n1
InChIInChI=1S/C13H18N6/c1-3-15-19-4-2-12(16-13(1)19)18-7-5-17(6-8-18)11-9-14-10-11/h1-4,11,14H,5-10H2
InChIKeyRKFCHZAZSYJMHO-UHFFFAOYSA-N
MW258.33 g/mol
LogP-0.18
Rot. Bonds2

About 5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine

5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 115372799) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID115372799
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESc1cc2nc(N3CCN(C4CNC4)CC3)ccn2n1
InChIInChI=1S/C13H18N6/c1-3-15-19-4-2-12(16-13(1)19)18-7-5-17(6-8-18)11-9-14-10-11/h1-4,11,14H,5-10H2
InChIKeyRKFCHZAZSYJMHO-UHFFFAOYSA-N
XLogP-0.18
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidine
CID 115371975
5-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 151310719
5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 155942753
1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-one
CID 115372220
1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperazin-1-yl)ethanone
CID 163343809
5-(3-fluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 171700855
6-[4-(azetidin-3-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 66201042
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-[(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)methyl]cyclopropanamine
CID 115373022
N-methyl-1-(1-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-4-yl)ethanamine
CID 115371982
5-[4-(azetidin-3-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 102626147

Frequently Asked Questions

What is the IUPAC name of 5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 115372799) is 5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is c1cc2nc(N3CCN(C4CNC4)CC3)ccn2n1.
What is the InChIKey of 5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is RKFCHZAZSYJMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-3-15-19-4-2-12(16-13(1)19)18-7-5-17(6-8-18)11-9-14-10-11/h1-4,11,14H,5-10H2.
What are the key properties of 5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine?
5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 258.33 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(azetidin-3-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 115372799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).