4-[(2-methylpyrazol-3-yl)methyl]piperidine

C10H17N3 — CID 63961604

IUPAC4-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1CC1CCNCC1
InChIInChI=1S/C10H17N3/c1-13-10(4-7-12-13)8-9-2-5-11-6-3-9/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyHPOODBWTDRQKOO-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.96
Rot. Bonds2

About 4-[(2-methylpyrazol-3-yl)methyl]piperidine

4-[(2-methylpyrazol-3-yl)methyl]piperidine (PubChem CID 63961604) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)methyl]piperidine
PubChem CID63961604
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name4-[(2-methylpyrazol-3-yl)methyl]piperidine
SMILESCn1nccc1CC1CCNCC1
InChIInChI=1S/C10H17N3/c1-13-10(4-7-12-13)8-9-2-5-11-6-3-9/h4,7,9,11H,2-3,5-6,8H2,1H3
InChIKeyHPOODBWTDRQKOO-UHFFFAOYSA-N
XLogP0.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-Pyrazol-5-yl)piperidine
CID 21193114
3-(1H-pyrazol-5-yl)piperidine
CID 42961301
4H,5H,6H,7H-pyrazolo(1,5-a)pyridine
CID 13785278
Dipropyl-(4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl)-amine
CID 11356479
Dipropyl-(S)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl-amine
CID 11615489
1-methyl-3-(propan-2-yl)-1H-pyrazole
CID 12251378
1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71695428
4-(1H-pyrazol-5-ylmethyl)piperidine
CID 75355610
Dipropyl-(R)-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyridin-5-yl-amine
CID 11708363
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-5-yl)cyclopropan-1-amine dihydrochloride
CID 129841629
rac-(1R,2R)-2-(1-methyl-1H-pyrazol-3-yl)cyclopropan-1-amine dihydrochloride
CID 129841883
1-(1-Ethyl-1H-pyrazol-3-yl)ethan-1-amine
CID 17024749

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazol-3-yl)methyl]piperidine?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)methyl]piperidine (CID 63961604) is 4-[(2-methylpyrazol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)methyl]piperidine?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)methyl]piperidine is Cn1nccc1CC1CCNCC1.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)methyl]piperidine?
The InChIKey is HPOODBWTDRQKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-13-10(4-7-12-13)8-9-2-5-11-6-3-9/h4,7,9,11H,2-3,5-6,8H2,1H3.
What are the key properties of 4-[(2-methylpyrazol-3-yl)methyl]piperidine?
4-[(2-methylpyrazol-3-yl)methyl]piperidine has a molecular weight of 179.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazol-3-yl)methyl]piperidine is sourced from PubChem (CID 63961604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).