4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole

C12H14FN3 — CID 168513895

IUPAC4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole
SMILESCc1[nH]nc2cc(N3CCCC3)cc(F)c12
InChIInChI=1S/C12H14FN3/c1-8-12-10(13)6-9(7-11(12)15-14-8)16-4-2-3-5-16/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyXMBPLDWNNHZORN-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.61
Rot. Bonds1

About 4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole

4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole (PubChem CID 168513895) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole.

Molecular Properties

Compound Name4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole
PubChem CID168513895
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole
SMILESCc1[nH]nc2cc(N3CCCC3)cc(F)c12
InChIInChI=1S/C12H14FN3/c1-8-12-10(13)6-9(7-11(12)15-14-8)16-4-2-3-5-16/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyXMBPLDWNNHZORN-UHFFFAOYSA-N
XLogP2.61
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole?
The IUPAC name of 4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole (CID 168513895) is 4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole.
What is the SMILES notation for 4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole?
The canonical SMILES for 4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole is Cc1[nH]nc2cc(N3CCCC3)cc(F)c12.
What is the InChIKey of 4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole?
The InChIKey is XMBPLDWNNHZORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-12-10(13)6-9(7-11(12)15-14-8)16-4-2-3-5-16/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole?
4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole has a molecular weight of 219.26 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-6-pyrrolidin-1-yl-2H-indazole is sourced from PubChem (CID 168513895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).