5-[4-(furan-2-yl)butyl]-1H-pyrazole

C11H14N2O — CID 90744914

IUPAC5-[4-(furan-2-yl)butyl]-1H-pyrazole
SMILESc1coc(CCCCc2ccn[nH]2)c1
InChIInChI=1S/C11H14N2O/c1(4-10-7-8-12-13-10)2-5-11-6-3-9-14-11/h3,6-9H,1-2,4-5H2,(H,12,13)
InChIKeySTCPJNQDYGMFKI-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.57
Rot. Bonds5

About 5-[4-(furan-2-yl)butyl]-1H-pyrazole

5-[4-(furan-2-yl)butyl]-1H-pyrazole (PubChem CID 90744914) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-[4-(furan-2-yl)butyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[4-(furan-2-yl)butyl]-1H-pyrazole
PubChem CID90744914
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name5-[4-(furan-2-yl)butyl]-1H-pyrazole
SMILESc1coc(CCCCc2ccn[nH]2)c1
InChIInChI=1S/C11H14N2O/c1(4-10-7-8-12-13-10)2-5-11-6-3-9-14-11/h3,6-9H,1-2,4-5H2,(H,12,13)
InChIKeySTCPJNQDYGMFKI-UHFFFAOYSA-N
XLogP2.57
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 43662572
5-hexyl-1H-pyrazole;hydrobromide
CID 174992148
11-(furan-2-yl)undecan-1-ol
CID 139763920
2-(3-chloropropyl)furan
CID 12549641
3-(furan-2-yl)propane-1-thiol
CID 12549643
2-(1H-pyrazol-5-yl)ethanethiol
CID 90977804
1-ethyl-3-(furan-2-ylmethyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 110938759
N-[4-(furan-2-yl)butan-2-yl]-3-(1H-pyrazol-5-yl)aniline
CID 43745442
5-(1H-pyrazol-5-yl)pentyl formate
CID 174645463
(1R,8R,9S)-N-[3-(furan-2-yl)propyl]-6-oxo-11-(1H-pyrazol-5-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-8-carboxamide
CID 171915801
4-(furan-2-yl)butanal
CID 14455558
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204

Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-2-yl)butyl]-1H-pyrazole?
The IUPAC name of 5-[4-(furan-2-yl)butyl]-1H-pyrazole (CID 90744914) is 5-[4-(furan-2-yl)butyl]-1H-pyrazole.
What is the SMILES notation for 5-[4-(furan-2-yl)butyl]-1H-pyrazole?
The canonical SMILES for 5-[4-(furan-2-yl)butyl]-1H-pyrazole is c1coc(CCCCc2ccn[nH]2)c1.
What is the InChIKey of 5-[4-(furan-2-yl)butyl]-1H-pyrazole?
The InChIKey is STCPJNQDYGMFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1(4-10-7-8-12-13-10)2-5-11-6-3-9-14-11/h3,6-9H,1-2,4-5H2,(H,12,13).
What are the key properties of 5-[4-(furan-2-yl)butyl]-1H-pyrazole?
5-[4-(furan-2-yl)butyl]-1H-pyrazole has a molecular weight of 190.25 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-2-yl)butyl]-1H-pyrazole is sourced from PubChem (CID 90744914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).