3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine

C11H18ClN3 — CID 83840007

IUPAC3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine
SMILESCC(C)n1ncc(Cl)c1C1CCCNC1
InChIInChI=1S/C11H18ClN3/c1-8(2)15-11(10(12)7-14-15)9-4-3-5-13-6-9/h7-9,13H,3-6H2,1-2H3
InChIKeyANQVCWKAYITNMK-UHFFFAOYSA-N
MW227.74 g/mol
LogP2.58
Rot. Bonds2

About 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine

3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine (PubChem CID 83840007) has the molecular formula C11H18ClN3 and a molecular weight of 227.74 g/mol. Its IUPAC name is 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine.

Molecular Properties

Compound Name3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine
PubChem CID83840007
Molecular FormulaC11H18ClN3
Molecular Weight227.74 g/mol
Exact Mass227.12
IUPAC Name3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine
SMILESCC(C)n1ncc(Cl)c1C1CCCNC1
InChIInChI=1S/C11H18ClN3/c1-8(2)15-11(10(12)7-14-15)9-4-3-5-13-6-9/h7-9,13H,3-6H2,1-2H3
InChIKeyANQVCWKAYITNMK-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.74
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-3-ylmethanone
CID 114668061
5-(3-bromocyclopentyl)-4-chloro-1-propan-2-ylpyrazole
CID 114665383
2-piperidin-3-yl-3-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 110102168
3-[1-(2-methylpropyl)pyrazol-4-yl]piperidine
CID 105461143
3-[4-chloro-5-(2-methylpropyl)pyrazol-1-yl]piperidine
CID 84801407
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one
CID 114663690
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine
CID 114667704
1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine
CID 114667328
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
4-chloro-5-piperidin-3-yl-1,2-thiazole
CID 84671186
2,5-dichloro-4-piperidin-3-ylpyridine
CID 84694263
3-chloro-4-piperidin-3-ylpyridine
CID 82399188

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine?
The IUPAC name of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine (CID 83840007) is 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine.
What is the SMILES notation for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine?
The canonical SMILES for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine is CC(C)n1ncc(Cl)c1C1CCCNC1.
What is the InChIKey of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine?
The InChIKey is ANQVCWKAYITNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3/c1-8(2)15-11(10(12)7-14-15)9-4-3-5-13-6-9/h7-9,13H,3-6H2,1-2H3.
What are the key properties of 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine?
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine has a molecular weight of 227.74 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-propan-2-ylpyrazol-5-yl)piperidine is sourced from PubChem (CID 83840007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).