3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine

C13H23N3 — CID 82695446

IUPAC3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine
SMILESCCc1cc(CC)n(C2CNCCC2C)n1
InChIInChI=1S/C13H23N3/c1-4-11-8-12(5-2)16(15-11)13-9-14-7-6-10(13)3/h8,10,13-14H,4-7,9H2,1-3H3
InChIKeyNLKCWCOQBVBMQY-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.18
Rot. Bonds3

About 3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine

3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine (PubChem CID 82695446) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine
PubChem CID82695446
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine
SMILESCCc1cc(CC)n(C2CNCCC2C)n1
InChIInChI=1S/C13H23N3/c1-4-11-8-12(5-2)16(15-11)13-9-14-7-6-10(13)3/h8,10,13-14H,4-7,9H2,1-3H3
InChIKeyNLKCWCOQBVBMQY-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692230
N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 82693803
2-(3,5-diethylpyrazol-1-yl)-4-ethylcyclohexan-1-amine
CID 82692586
2-(3,5-diethylpyrazol-1-yl)-4-propylcyclohexan-1-ol
CID 82695455
3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692472
3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine
CID 82693590
[4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine
CID 82696080
(2R)-1-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpiperazine
CID 82755426
1-[2-(azetidin-3-yl)ethyl]-3,5-diethylpyrazole
CID 107391392
5-methoxy-3-propyl-1-pyrrolidin-3-ylpyrazole
CID 84722964
3,5-diethyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazole
CID 102819892
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79716452

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine (CID 82695446) is 3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine is CCc1cc(CC)n(C2CNCCC2C)n1.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine?
The InChIKey is NLKCWCOQBVBMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-11-8-12(5-2)16(15-11)13-9-14-7-6-10(13)3/h8,10,13-14H,4-7,9H2,1-3H3.
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine?
3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine is sourced from PubChem (CID 82695446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).