2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine

C13H17N3O — CID 121214008

IUPAC2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine
SMILESc1coc(-c2cnn(CC3CCCCN3)c2)c1
InChIInChI=1S/C13H17N3O/c1-2-6-14-12(4-1)10-16-9-11(8-15-16)13-5-3-7-17-13/h3,5,7-9,12,14H,1-2,4,6,10H2
InChIKeyAOBVQANNYZUMJC-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.29
Rot. Bonds3

About 2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine

2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine (PubChem CID 121214008) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine
PubChem CID121214008
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine
SMILESc1coc(-c2cnn(CC3CCCCN3)c2)c1
InChIInChI=1S/C13H17N3O/c1-2-6-14-12(4-1)10-16-9-11(8-15-16)13-5-3-7-17-13/h3,5,7-9,12,14H,1-2,4,6,10H2
InChIKeyAOBVQANNYZUMJC-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84733041
4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84604183
3-[4-(furan-2-yl)pyrazol-1-yl]propan-1-amine
CID 121214021
2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine
CID 117125038
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
2-[(4-ethyltriazol-1-yl)methyl]piperidine
CID 115019973
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
CID 70724429
1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 171834779
1-(pyrrolidin-2-ylmethyl)-4-[2-(trifluoromethyl)phenoxy]pyrazole
CID 117125009
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
CID 86262246
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine?
The IUPAC name of 2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine (CID 121214008) is 2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine.
What is the SMILES notation for 2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine?
The canonical SMILES for 2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine is c1coc(-c2cnn(CC3CCCCN3)c2)c1.
What is the InChIKey of 2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine?
The InChIKey is AOBVQANNYZUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-6-14-12(4-1)10-16-9-11(8-15-16)13-5-3-7-17-13/h3,5,7-9,12,14H,1-2,4,6,10H2.
What are the key properties of 2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine?
2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine has a molecular weight of 231.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine is sourced from PubChem (CID 121214008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).