1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole

C17H20N2 — CID 134164543

IUPAC1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole
SMILESCC1CC12CCCc1cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C17H20N2/c1-12-9-17(12)7-3-4-14-8-13(5-6-16(14)17)15-10-18-19(2)11-15/h5-6,8,10-12H,3-4,7,9H2,1-2H3
InChIKeyBKYCUPFITHXYKD-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.70
Rot. Bonds1

About 1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole

1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole (PubChem CID 134164543) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole
PubChem CID134164543
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole
SMILESCC1CC12CCCc1cc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C17H20N2/c1-12-9-17(12)7-3-4-14-8-13(5-6-16(14)17)15-10-18-19(2)11-15/h5-6,8,10-12H,3-4,7,9H2,1-2H3
InChIKeyBKYCUPFITHXYKD-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole?
The IUPAC name of 1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole (CID 134164543) is 1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole.
What is the SMILES notation for 1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole?
The canonical SMILES for 1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole is CC1CC12CCCc1cc(-c3cnn(C)c3)ccc12.
What is the InChIKey of 1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole?
The InChIKey is BKYCUPFITHXYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-12-9-17(12)7-3-4-14-8-13(5-6-16(14)17)15-10-18-19(2)11-15/h5-6,8,10-12H,3-4,7,9H2,1-2H3.
What are the key properties of 1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole?
1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole has a molecular weight of 252.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2'-methylspiro[7,8-dihydro-6H-naphthalene-5,1'-cyclopropane]-2-yl)pyrazole is sourced from PubChem (CID 134164543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).