1-(furan-3-ylmethyl)-3,5-dimethylpyrazole

C10H12N2O — CID 83183212

IUPAC1-(furan-3-ylmethyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2ccoc2)n1
InChIInChI=1S/C10H12N2O/c1-8-5-9(2)12(11-8)6-10-3-4-13-7-10/h3-5,7H,6H2,1-2H3
InChIKeyMCTGDWLNIUCOIP-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.14
Rot. Bonds2

About 1-(furan-3-ylmethyl)-3,5-dimethylpyrazole

1-(furan-3-ylmethyl)-3,5-dimethylpyrazole (PubChem CID 83183212) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3,5-dimethylpyrazole
PubChem CID83183212
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-(furan-3-ylmethyl)-3,5-dimethylpyrazole
SMILESCc1cc(C)n(Cc2ccoc2)n1
InChIInChI=1S/C10H12N2O/c1-8-5-9(2)12(11-8)6-10-3-4-13-7-10/h3-5,7H,6H2,1-2H3
InChIKeyMCTGDWLNIUCOIP-UHFFFAOYSA-N
XLogP2.14
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 62471489
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline;dihydrochloride
CID 45123702
4-[(3,5-dimethylpyrazol-1-yl)methyl]benzaldehyde
CID 166920797
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(furan-3-yl)ethanone
CID 105126066
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpyrazole
CID 63812244
1-ethyl-3,5-dimethylpyrazole
CID 565993
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
copper;2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[6-[(3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]pyridine;dibromide;trihydrate
CID 139151836
[5-[(3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methanamine
CID 62448147
2-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 12988154
(E)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]prop-2-enoic acid
CID 109375502

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3,5-dimethylpyrazole?
The IUPAC name of 1-(furan-3-ylmethyl)-3,5-dimethylpyrazole (CID 83183212) is 1-(furan-3-ylmethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 1-(furan-3-ylmethyl)-3,5-dimethylpyrazole is Cc1cc(C)n(Cc2ccoc2)n1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3,5-dimethylpyrazole?
The InChIKey is MCTGDWLNIUCOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-8-5-9(2)12(11-8)6-10-3-4-13-7-10/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-(furan-3-ylmethyl)-3,5-dimethylpyrazole?
1-(furan-3-ylmethyl)-3,5-dimethylpyrazole has a molecular weight of 176.22 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 83183212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).