5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole

C11H18N2O — CID 134393508

IUPAC5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole
SMILESCC1(C)C(COc2ccn[nH]2)C1(C)C
InChIInChI=1S/C11H18N2O/c1-10(2)8(11(10,3)4)7-14-9-5-6-12-13-9/h5-6,8H,7H2,1-4H3,(H,12,13)
InChIKeyFJYNXZCVYXCMRW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.47
Rot. Bonds3

About 5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole

5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole (PubChem CID 134393508) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole
PubChem CID134393508
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole
SMILESCC1(C)C(COc2ccn[nH]2)C1(C)C
InChIInChI=1S/C11H18N2O/c1-10(2)8(11(10,3)4)7-14-9-5-6-12-13-9/h5-6,8H,7H2,1-4H3,(H,12,13)
InChIKeyFJYNXZCVYXCMRW-UHFFFAOYSA-N
XLogP2.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole?
The IUPAC name of 5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole (CID 134393508) is 5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole.
What is the SMILES notation for 5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole?
The canonical SMILES for 5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole is CC1(C)C(COc2ccn[nH]2)C1(C)C.
What is the InChIKey of 5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole?
The InChIKey is FJYNXZCVYXCMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-10(2)8(11(10,3)4)7-14-9-5-6-12-13-9/h5-6,8H,7H2,1-4H3,(H,12,13).
What are the key properties of 5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole?
5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole has a molecular weight of 194.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,3,3-tetramethylcyclopropyl)methoxy]-1H-pyrazole is sourced from PubChem (CID 134393508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).