3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine

C10H17N3 — CID 131154051

IUPAC3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine
SMILESCC1CC(C)CN(c2cn[nH]c2)C1
InChIInChI=1S/C10H17N3/c1-8-3-9(2)7-13(6-8)10-4-11-12-5-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyAIYZTAQSJCKHEH-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.89
Rot. Bonds1

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

3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine (PubChem CID 131154051) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine
PubChem CID131154051
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine
SMILESCC1CC(C)CN(c2cn[nH]c2)C1
InChIInChI=1S/C10H17N3/c1-8-3-9(2)7-13(6-8)10-4-11-12-5-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,11,12)
InChIKeyAIYZTAQSJCKHEH-UHFFFAOYSA-N
XLogP1.89
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(1H-pyrazol-4-yl)piperidine
CID 131085917
(3aS,6aR)-5-(1H-pyrazol-4-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 175834567
4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole
CID 95566830
(2R,3S)-2-methyl-6-oxo-1-(1H-pyrazol-4-yl)piperidine-3-carboxylic acid
CID 96605914
5-ethyl-2-(1H-pyrazol-4-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513084
[5-(3,5-dimethylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 115486808
N-(3,5-dimethylcyclohexyl)-1H-pyrazol-4-amine
CID 64725037
5-(3,5-dimethylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839099
(3R,5R)-1-(4-ethylphenyl)-3,5-dimethylpiperidine
CID 59545269
(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
CID 164952945
methoxy-methyl-(1H-pyrazol-4-yl)borane
CID 123962893
5-(3,5-dimethylpiperidin-1-yl)-2-nitropyridine
CID 4780110

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine?
The IUPAC name of 3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine (CID 131154051) is 3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine.
What is the SMILES notation for 3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine?
The canonical SMILES for 3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine is CC1CC(C)CN(c2cn[nH]c2)C1.
What is the InChIKey of 3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine?
The InChIKey is AIYZTAQSJCKHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-3-9(2)7-13(6-8)10-4-11-12-5-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,11,12).
What are the key properties of 3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine?
3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine has a molecular weight of 179.27 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(1H-pyrazol-4-yl)piperidine is sourced from PubChem (CID 131154051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).