5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole

C10H10N2O3 — CID 10954710

IUPAC5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole
SMILESc1cc(-c2ccc(C3OCCO3)o2)[nH]n1
InChIInChI=1S/C10H10N2O3/c1-2-9(10-13-5-6-14-10)15-8(1)7-3-4-11-12-7/h1-4,10H,5-6H2,(H,11,12)
InChIKeyMBCQCGOKQVKMGS-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.72
Rot. Bonds2

About 5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole

5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole (PubChem CID 10954710) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole
PubChem CID10954710
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole
SMILESc1cc(-c2ccc(C3OCCO3)o2)[nH]n1
InChIInChI=1S/C10H10N2O3/c1-2-9(10-13-5-6-14-10)15-8(1)7-3-4-11-12-7/h1-4,10H,5-6H2,(H,11,12)
InChIKeyMBCQCGOKQVKMGS-UHFFFAOYSA-N
XLogP1.72
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-pyrazol-5-yl)furan-2-carbaldehyde
CID 17750888
methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 4518631
Ethyl 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylate
CID 2112251
3-(furan-2-yl)-1H-pyrazole
CID 818920
5-(5-methylfuran-2-yl)-1H-pyrazole
CID 39734333
[5-(1H-pyrazol-5-yl)furan-2-yl]methanamine
CID 144010388
methyl 3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylate
CID 4737236
ethyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 7127811
N-(2-furylmethyl)-N-{[5-(1H-pyrazol-5-yl)-2-furyl]methyl}prop-2-en-1-amine
CID 46997086
3-(5-(1,3-Dioxolan-2-yl)-furan-2-yl)indazole
CID 22239006
5-(3-methylfuran-2-yl)-1H-pyrazole
CID 53631452
[3-(furan-2-yl)-1H-pyrazol-5-yl]methanediol
CID 57097606

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole?
The IUPAC name of 5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole (CID 10954710) is 5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole is c1cc(-c2ccc(C3OCCO3)o2)[nH]n1.
What is the InChIKey of 5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole?
The InChIKey is MBCQCGOKQVKMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-9(10-13-5-6-14-10)15-8(1)7-3-4-11-12-7/h1-4,10H,5-6H2,(H,11,12).
What are the key properties of 5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole?
5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole has a molecular weight of 206.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-pyrazole is sourced from PubChem (CID 10954710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).