3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine

C12H20ClN3 — CID 84801407

IUPAC3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine
SMILESCC(C)Cc1c(Cl)cnn1C1CCCNC1
InChIInChI=1S/C12H20ClN3/c1-9(2)6-12-11(13)8-15-16(12)10-4-3-5-14-7-10/h8-10,14H,3-7H2,1-2H3
InChIKeyLXQHWEDMDJPYBG-UHFFFAOYSA-N
MW241.77 g/mol
LogP2.66
Rot. Bonds3

About 3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine

3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine (PubChem CID 84801407) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine.

Molecular Properties

Compound Name3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine
PubChem CID84801407
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine
SMILESCC(C)Cc1c(Cl)cnn1C1CCCNC1
InChIInChI=1S/C12H20ClN3/c1-9(2)6-12-11(13)8-15-16(12)10-4-3-5-14-7-10/h8-10,14H,3-7H2,1-2H3
InChIKeyLXQHWEDMDJPYBG-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-5-chloropyrazol-1-yl)piperidine
CID 83672051
3-(5-chloro-4-nitropyrazol-1-yl)piperidine
CID 146481316
3-(3,5-dimethylpyrazol-1-yl)piperidine
CID 54592912
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine
CID 83840007
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-piperidin-3-ylmethanol
CID 114637159
3-(5-ethylpyrazol-1-yl)piperidine
CID 84768027
(3R)-3-(5-methyl-4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 140765908
3-[4-(4-bromophenyl)-5-methylpyrazol-1-yl]piperidine
CID 84604219
(3R)-3-(4-tert-butylpyrazol-1-yl)piperidine
CID 170927501
5-[2-methoxyethyl(methyl)amino]-2-piperidin-3-ylpyridazin-3-one
CID 119030875
4-[5-(2-methylpropyl)imidazol-1-yl]azepane
CID 107174388
5-amino-1-piperidin-3-ylpyrazole-4-carbonitrile;hydrochloride
CID 162313016

Frequently Asked Questions

What is the IUPAC name of 3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine?
The IUPAC name of 3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine (CID 84801407) is 3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine.
What is the SMILES notation for 3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine?
The canonical SMILES for 3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine is CC(C)Cc1c(Cl)cnn1C1CCCNC1.
What is the InChIKey of 3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine?
The InChIKey is LXQHWEDMDJPYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-9(2)6-12-11(13)8-15-16(12)10-4-3-5-14-7-10/h8-10,14H,3-7H2,1-2H3.
What are the key properties of 3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine?
3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine has a molecular weight of 241.77 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine is sourced from PubChem (CID 84801407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).