ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine

C11H21N3 — CID 166075629

IUPACethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine
SMILESCC.CN1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C9H15N3.C2H6/c1-12-4-2-8(3-5-12)9-6-10-11-7-9;1-2/h6-8H,2-5H2,1H3,(H,10,11);1-2H3
InChIKeyGXWYFLVPMWHMJB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.25
Rot. Bonds1

About ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine

ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine (PubChem CID 166075629) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Nameethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine
PubChem CID166075629
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Nameethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine
SMILESCC.CN1CCC(c2cn[nH]c2)CC1
InChIInChI=1S/C9H15N3.C2H6/c1-12-4-2-8(3-5-12)9-6-10-11-7-9;1-2/h6-8H,2-5H2,1H3,(H,10,11);1-2H3
InChIKeyGXWYFLVPMWHMJB-UHFFFAOYSA-N
XLogP2.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propyl-1H-pyrazole
CID 12943708
4-Cyclopropyl-1H-pyrazole
CID 13163973
4-(1-Hydroxypyrazol-4-yl)piperidine
CID 46203882
3-(1H-pyrazol-4-yl)piperidine
CID 53612880
4-(1-Methylpropyl)-1H-pyrazole
CID 14746485
4-(1H-Pyrazol-4-yl)piperidine
CID 28605195
2-(1H-pyrazol-4-yl)piperidine
CID 54593248
4-(2-methylpropyl)-1H-pyrazole
CID 58592546
4-(pyrrolidin-3-yl)-1H-pyrazole dihydrochloride
CID 67187229
1-methyl-4-(1H-pyrazol-4-yl)Piperidine
CID 83404347
4-cyclobutyl-1H-pyrazole
CID 122155375
3-(1H-pyrazol-4-yl)piperidine dihydrochloride
CID 126851836

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine (CID 166075629) is ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine is CC.CN1CCC(c2cn[nH]c2)CC1.
What is the InChIKey of ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine?
The InChIKey is GXWYFLVPMWHMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C2H6/c1-12-4-2-8(3-5-12)9-6-10-11-7-9;1-2/h6-8H,2-5H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine?
ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine has a molecular weight of 195.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 166075629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).