3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine

C13H23N3 — CID 105478412

IUPAC3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine
SMILESCCCn1nc(C)c(C2CCCNC2)c1C
InChIInChI=1S/C13H23N3/c1-4-8-16-11(3)13(10(2)15-16)12-6-5-7-14-9-12/h12,14H,4-9H2,1-3H3
InChIKeyLBLHHEQYPLZVHG-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.38
Rot. Bonds3

About 3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine

3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine (PubChem CID 105478412) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine
PubChem CID105478412
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine
SMILESCCCn1nc(C)c(C2CCCNC2)c1C
InChIInChI=1S/C13H23N3/c1-4-8-16-11(3)13(10(2)15-16)12-6-5-7-14-9-12/h12,14H,4-9H2,1-3H3
InChIKeyLBLHHEQYPLZVHG-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]piperidine
CID 62357214
4-methyl-2-[(3R)-piperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124971396
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
3-piperidin-3-yl-4-propyl-1H-1,2,4-triazol-5-one
CID 81488808
1-ethyl-3,5-dimethyl-4-[(2R)-pyrrolidin-2-yl]pyrazole
CID 99978633
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594
3-(3-butylimidazol-4-yl)piperidine
CID 114702793
(3S)-3-(1,4-dimethylimidazol-2-yl)piperidine
CID 96743464
4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione
CID 105481259
1-pentyl-3-piperidin-3-ylindazole
CID 67818379
3-(2-ethyltriazol-4-yl)piperidine
CID 10012528
(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine?
The IUPAC name of 3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine (CID 105478412) is 3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine.
What is the SMILES notation for 3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine?
The canonical SMILES for 3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine is CCCn1nc(C)c(C2CCCNC2)c1C.
What is the InChIKey of 3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine?
The InChIKey is LBLHHEQYPLZVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-8-16-11(3)13(10(2)15-16)12-6-5-7-14-9-12/h12,14H,4-9H2,1-3H3.
What are the key properties of 3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine?
3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1-propylpyrazol-4-yl)piperidine is sourced from PubChem (CID 105478412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).