3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine

C13H17N3O — CID 121214022

IUPAC3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine
SMILESc1cc(-c2cnn(CC3CCCNC3)c2)co1
InChIInChI=1S/C13H17N3O/c1-2-11(6-14-4-1)8-16-9-13(7-15-16)12-3-5-17-10-12/h3,5,7,9-11,14H,1-2,4,6,8H2
InChIKeyVCOKWWWKUUMZCQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.14
Rot. Bonds3

About 3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine

3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine (PubChem CID 121214022) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine
PubChem CID121214022
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine
SMILESc1cc(-c2cnn(CC3CCCNC3)c2)co1
InChIInChI=1S/C13H17N3O/c1-2-11(6-14-4-1)8-16-9-13(7-15-16)12-3-5-17-10-12/h3,5,7,9-11,14H,1-2,4,6,8H2
InChIKeyVCOKWWWKUUMZCQ-UHFFFAOYSA-N
XLogP2.14
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 55113009
(3S)-3-[(4-iodopyrazol-1-yl)methyl]piperidine
CID 129369974
3-[[4-(difluoromethyl)pyrazol-1-yl]methyl]piperidine
CID 84734904
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584
3-[[4-(2-fluoropropan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 84735734
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 94408772
4-bromo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole;hydrochloride
CID 165429520
1-(azetidin-3-ylmethyl)-4-(4-bromophenyl)pyrazole
CID 84814984
4-iodo-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrazole
CID 165429519
1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole
CID 84791613
2-(furan-3-yl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 119464645
3-(6-fluoro-1H-benzimidazol-2-yl)-5-[1-(piperidin-3-ylmethyl)pyrazol-4-yl]pyrazin-2-amine
CID 68891988

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine?
The IUPAC name of 3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine (CID 121214022) is 3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine is c1cc(-c2cnn(CC3CCCNC3)c2)co1.
What is the InChIKey of 3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine?
The InChIKey is VCOKWWWKUUMZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-11(6-14-4-1)8-16-9-13(7-15-16)12-3-5-17-10-12/h3,5,7,9-11,14H,1-2,4,6,8H2.
What are the key properties of 3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine?
3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine has a molecular weight of 231.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(furan-3-yl)pyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 121214022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).