1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole

C14H17FN2 — CID 176644933

IUPAC1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole
SMILESCC(C)c1ccc2c(cnn2CC2CC2)c1F
InChIInChI=1S/C14H17FN2/c1-9(2)11-5-6-13-12(14(11)15)7-16-17(13)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyIRMOYIICIRJHJS-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.71
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole

1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole (PubChem CID 176644933) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole
PubChem CID176644933
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole
SMILESCC(C)c1ccc2c(cnn2CC2CC2)c1F
InChIInChI=1S/C14H17FN2/c1-9(2)11-5-6-13-12(14(11)15)7-16-17(13)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyIRMOYIICIRJHJS-UHFFFAOYSA-N
XLogP3.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-(piperidin-4-ylmethyl)indazole
CID 84692855
1-(cyclopropylmethyl)-6-methylindazol-4-amine
CID 68618345
2,3-difluoro-1-[(4-methylcyclohexyl)methyl]-4-propan-2-ylbenzene
CID 91116648
[1-(cyclopropylmethyl)indazol-5-yl]methanol
CID 90133453
1-(cyclopropylmethyl)indazol-6-amine
CID 43646564
5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole
CID 141364979
3-[4-[[1-(cyclopropylmethyl)indazol-4-yl]methoxy]phenyl]butanoic acid
CID 90143002
6-bromo-1-(cyclopropylmethyl)pyrazolo[4,3-c]pyridine
CID 177037175
2-(cyclopropylmethyl)-6-fluoro-3-propan-2-ylpyridine
CID 130382070
2-(cyclopropylmethyl)-N-propan-2-ylpyrazol-3-amine
CID 115921793
1-[(3-propan-2-ylcyclohexyl)methyl]indazole
CID 171430317
(1R)-1-[3-(cyclobutylmethyl)triazol-4-yl]ethanol
CID 130567036

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole?
The IUPAC name of 1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole (CID 176644933) is 1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole?
The canonical SMILES for 1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole is CC(C)c1ccc2c(cnn2CC2CC2)c1F.
What is the InChIKey of 1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole?
The InChIKey is IRMOYIICIRJHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-9(2)11-5-6-13-12(14(11)15)7-16-17(13)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole?
1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole has a molecular weight of 232.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole is sourced from PubChem (CID 176644933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).