1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole

C15H21FN2 — CID 142899098

IUPAC1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole
SMILESCc1ccc2c(c1)CNN2CC1CCCC(F)C1
InChIInChI=1S/C15H21FN2/c1-11-5-6-15-13(7-11)9-17-18(15)10-12-3-2-4-14(16)8-12/h5-7,12,14,17H,2-4,8-10H2,1H3
InChIKeyLIWCXYCRCHPKLC-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.35
Rot. Bonds2

About 1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole

1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole (PubChem CID 142899098) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole.

Molecular Properties

Compound Name1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole
PubChem CID142899098
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole
SMILESCc1ccc2c(c1)CNN2CC1CCCC(F)C1
InChIInChI=1S/C15H21FN2/c1-11-5-6-15-13(7-11)9-17-18(15)10-12-3-2-4-14(16)8-12/h5-7,12,14,17H,2-4,8-10H2,1H3
InChIKeyLIWCXYCRCHPKLC-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole?
The IUPAC name of 1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole (CID 142899098) is 1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole.
What is the SMILES notation for 1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole?
The canonical SMILES for 1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole is Cc1ccc2c(c1)CNN2CC1CCCC(F)C1.
What is the InChIKey of 1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole?
The InChIKey is LIWCXYCRCHPKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-11-5-6-15-13(7-11)9-17-18(15)10-12-3-2-4-14(16)8-12/h5-7,12,14,17H,2-4,8-10H2,1H3.
What are the key properties of 1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole?
1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole has a molecular weight of 248.34 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorocyclohexyl)methyl]-5-methyl-2,3-dihydroindazole is sourced from PubChem (CID 142899098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).