5-(3,3-dicyclopropylpropoxy)-1H-pyrazole

C12H18N2O — CID 134393614

IUPAC5-(3,3-dicyclopropylpropoxy)-1H-pyrazole
SMILESc1cc(OCCC(C2CC2)C2CC2)[nH]n1
InChIInChI=1S/C12H18N2O/c1-2-9(1)11(10-3-4-10)6-8-15-12-5-7-13-14-12/h5,7,9-11H,1-4,6,8H2,(H,13,14)
InChIKeyFMKKZWOCZMQSOV-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.61
Rot. Bonds6

About 5-(3,3-dicyclopropylpropoxy)-1H-pyrazole

5-(3,3-dicyclopropylpropoxy)-1H-pyrazole (PubChem CID 134393614) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 5-(3,3-dicyclopropylpropoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,3-dicyclopropylpropoxy)-1H-pyrazole
PubChem CID134393614
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name5-(3,3-dicyclopropylpropoxy)-1H-pyrazole
SMILESc1cc(OCCC(C2CC2)C2CC2)[nH]n1
InChIInChI=1S/C12H18N2O/c1-2-9(1)11(10-3-4-10)6-8-15-12-5-7-13-14-12/h5,7,9-11H,1-4,6,8H2,(H,13,14)
InChIKeyFMKKZWOCZMQSOV-UHFFFAOYSA-N
XLogP2.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dicyclopropylpropoxy)-1H-pyrazole?
The IUPAC name of 5-(3,3-dicyclopropylpropoxy)-1H-pyrazole (CID 134393614) is 5-(3,3-dicyclopropylpropoxy)-1H-pyrazole.
What is the SMILES notation for 5-(3,3-dicyclopropylpropoxy)-1H-pyrazole?
The canonical SMILES for 5-(3,3-dicyclopropylpropoxy)-1H-pyrazole is c1cc(OCCC(C2CC2)C2CC2)[nH]n1.
What is the InChIKey of 5-(3,3-dicyclopropylpropoxy)-1H-pyrazole?
The InChIKey is FMKKZWOCZMQSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-9(1)11(10-3-4-10)6-8-15-12-5-7-13-14-12/h5,7,9-11H,1-4,6,8H2,(H,13,14).
What are the key properties of 5-(3,3-dicyclopropylpropoxy)-1H-pyrazole?
5-(3,3-dicyclopropylpropoxy)-1H-pyrazole has a molecular weight of 206.29 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dicyclopropylpropoxy)-1H-pyrazole is sourced from PubChem (CID 134393614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).