1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine

C12H16FN3 — CID 84724778

IUPAC1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine
SMILESCNCc1c2c(F)cccc2nn1C(C)C
InChIInChI=1S/C12H16FN3/c1-8(2)16-11(7-14-3)12-9(13)5-4-6-10(12)15-16/h4-6,8,14H,7H2,1-3H3
InChIKeyMKXMTMFTUJQZRT-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.48
Rot. Bonds3

About 1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine

1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine (PubChem CID 84724778) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine
PubChem CID84724778
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine
SMILESCNCc1c2c(F)cccc2nn1C(C)C
InChIInChI=1S/C12H16FN3/c1-8(2)16-11(7-14-3)12-9(13)5-4-6-10(12)15-16/h4-6,8,14H,7H2,1-3H3
InChIKeyMKXMTMFTUJQZRT-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-propan-2-ylindazole-3-carbonitrile
CID 84721558
2-(4-chloro-2-propan-2-ylindazol-3-yl)ethanamine
CID 84727595
(4-fluoro-2-methylindazol-3-yl)methanamine
CID 84718090
2-(4-fluoro-2-methylindazol-3-yl)acetonitrile
CID 84719231
1-(4-chloro-2-ethylindazol-3-yl)-N-methylmethanamine
CID 84725341
N-methyl-1-(2-methylindazol-3-yl)methanamine
CID 84717612
1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 117173709
1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine
CID 112716022
2-(4-fluoro-3-methylindazol-2-yl)acetic acid
CID 84722585
3-chloro-7-fluoro-2-propan-2-ylindazole
CID 84723451
1-[1-[(2,6-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 114930879
1-(5-bromo-1-propan-2-ylpyrazol-3-yl)-N-methylmethanamine
CID 83895033

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine (CID 84724778) is 1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine is CNCc1c2c(F)cccc2nn1C(C)C.
What is the InChIKey of 1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine?
The InChIKey is MKXMTMFTUJQZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c1-8(2)16-11(7-14-3)12-9(13)5-4-6-10(12)15-16/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine?
1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine has a molecular weight of 221.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-propan-2-ylindazol-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84724778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).