1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine

C13H22N4O — CID 116825936

IUPAC1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine
SMILESCn1nc(N2CCNCC2)cc1C1CCOCC1
InChIInChI=1S/C13H22N4O/c1-16-12(11-2-8-18-9-3-11)10-13(15-16)17-6-4-14-5-7-17/h10-11,14H,2-9H2,1H3
InChIKeyPKTIVDVGIIAVPY-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.72
Rot. Bonds2

About 1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine

1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine (PubChem CID 116825936) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine
PubChem CID116825936
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine
SMILESCn1nc(N2CCNCC2)cc1C1CCOCC1
InChIInChI=1S/C13H22N4O/c1-16-12(11-2-8-18-9-3-11)10-13(15-16)17-6-4-14-5-7-17/h10-11,14H,2-9H2,1H3
InChIKeyPKTIVDVGIIAVPY-UHFFFAOYSA-N
XLogP0.72
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine
CID 163346691
1-methyl-5-piperidin-4-ylpyrazol-3-amine
CID 83409077
1-[1-methyl-5-(5-methylfuran-2-yl)pyrazol-3-yl]piperazine
CID 116825934
1-[2-methyl-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]-1,4-diazepane
CID 126440152
1-methyl-3-(oxan-4-yl)pyrazole-5-carboxylic acid
CID 83702839
5-(5-cyclopropyl-1-methylpyrazol-3-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959189
4-(3-benzyl-1-methylpyrazol-5-yl)piperidine
CID 18187656
2-bromo-1-methyl-5-(oxan-4-yl)imidazole
CID 117259832
3-piperazin-1-yl-5-propan-2-yl-1,2-oxazole
CID 83669738
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
1-[[4-(oxan-4-yl)phenyl]methyl]piperazine
CID 117405519
N-[1-methyl-3-(oxan-4-yl)pyrazol-5-yl]-2-(piperidin-4-ylmethyl)benzamide
CID 138057271

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine?
The IUPAC name of 1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine (CID 116825936) is 1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine.
What is the SMILES notation for 1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine?
The canonical SMILES for 1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine is Cn1nc(N2CCNCC2)cc1C1CCOCC1.
What is the InChIKey of 1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine?
The InChIKey is PKTIVDVGIIAVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-12(11-2-8-18-9-3-11)10-13(15-16)17-6-4-14-5-7-17/h10-11,14H,2-9H2,1H3.
What are the key properties of 1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine?
1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine has a molecular weight of 250.35 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]piperazine is sourced from PubChem (CID 116825936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).