N-(6-fluoro-2-methylindazol-5-yl)butanamide

C12H14FN3O — CID 177040460

IUPACN-(6-fluoro-2-methylindazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc2cn(C)nc2cc1F
InChIInChI=1S/C12H14FN3O/c1-3-4-12(17)14-11-5-8-7-16(2)15-10(8)6-9(11)13/h5-7H,3-4H2,1-2H3,(H,14,17)
InChIKeyVKIBSKBNSHJTCT-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.45
Rot. Bonds3

About N-(6-fluoro-2-methylindazol-5-yl)butanamide

N-(6-fluoro-2-methylindazol-5-yl)butanamide (PubChem CID 177040460) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is N-(6-fluoro-2-methylindazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(6-fluoro-2-methylindazol-5-yl)butanamide
PubChem CID177040460
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC NameN-(6-fluoro-2-methylindazol-5-yl)butanamide
SMILESCCCC(=O)Nc1cc2cn(C)nc2cc1F
InChIInChI=1S/C12H14FN3O/c1-3-4-12(17)14-11-5-8-7-16(2)15-10(8)6-9(11)13/h5-7H,3-4H2,1-2H3,(H,14,17)
InChIKeyVKIBSKBNSHJTCT-UHFFFAOYSA-N
XLogP2.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-methoxy-2-methylindazol-5-yl)butanamide
CID 177040476
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
6-fluoro-2-methylindazol-5-amine
CID 118626680
tert-butyl N-[6-fluoro-2-(2-iodoethyl)indazol-5-yl]carbamate
CID 164567715
N-(2-fluorophenyl)butanamide
CID 849021
S-[(7-fluoro-2-methylindazol-5-yl)methyl] butanethioate
CID 177040790
N-(1-methyltriazol-4-yl)butanamide
CID 130694162
5-fluoro-2-methylindazol-6-amine
CID 117110292
N-(2-fluoro-5-nitrophenyl)butanamide
CID 909497
N-(2,4-difluorophenyl)hexanamide
CID 3484261
N-(2,4,5-trifluorophenyl)propanamide
CID 63372836
O-methyl 2-[5-(butanoylamino)-2-chloro-4-fluorophenyl]ethanethioate
CID 139690212

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-methylindazol-5-yl)butanamide?
The IUPAC name of N-(6-fluoro-2-methylindazol-5-yl)butanamide (CID 177040460) is N-(6-fluoro-2-methylindazol-5-yl)butanamide.
What is the SMILES notation for N-(6-fluoro-2-methylindazol-5-yl)butanamide?
The canonical SMILES for N-(6-fluoro-2-methylindazol-5-yl)butanamide is CCCC(=O)Nc1cc2cn(C)nc2cc1F.
What is the InChIKey of N-(6-fluoro-2-methylindazol-5-yl)butanamide?
The InChIKey is VKIBSKBNSHJTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-4-12(17)14-11-5-8-7-16(2)15-10(8)6-9(11)13/h5-7H,3-4H2,1-2H3,(H,14,17).
What are the key properties of N-(6-fluoro-2-methylindazol-5-yl)butanamide?
N-(6-fluoro-2-methylindazol-5-yl)butanamide has a molecular weight of 235.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-methylindazol-5-yl)butanamide is sourced from PubChem (CID 177040460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).