N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide

C9H8FN3O — CID 169168502

IUPACN-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide
SMILESCc1[nH]nc2ccc(NC=O)c(F)c12
InChIInChI=1S/C9H8FN3O/c1-5-8-6(13-12-5)2-3-7(9(8)10)11-4-14/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKeyZZAXRMNTFOJLRV-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.58
Rot. Bonds2

About N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide

N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide (PubChem CID 169168502) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide
PubChem CID169168502
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC NameN-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide
SMILESCc1[nH]nc2ccc(NC=O)c(F)c12
InChIInChI=1S/C9H8FN3O/c1-5-8-6(13-12-5)2-3-7(9(8)10)11-4-14/h2-4H,1H3,(H,11,14)(H,12,13)
InChIKeyZZAXRMNTFOJLRV-UHFFFAOYSA-N
XLogP1.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3,7-dimethyl-2H-indazole-4-carbaldehyde
CID 118992183
N-(3-fluoro-2,4-dimethylphenyl)formamide
CID 168652075
5-fluoro-3-methyl-2H-indazole-4-carboxylic acid
CID 117109516
6-chloro-4-fluoro-3,5-dimethyl-2H-indazole
CID 176567059
N-(4-fluoro-2-methylphenyl)formamide
CID 64992173
N-(2,6-difluoro-3-formamidophenyl)acetamide
CID 168651959
3,4-dimethyl-5-propan-2-yl-2H-indazole
CID 142484038
N-(4-fluoro-2-iodo-3-methylphenyl)formamide
CID 168653017
N-(2-chloro-4-fluoro-3-methylphenyl)formamide
CID 168651882
3-methyl-4-(trifluoromethyl)-2H-indazole
CID 70840993
3-bromo-2H-indazole-4-carbaldehyde
CID 76846328
N-(3-fluoro-2-methylphenyl)formamide
CID 45090567

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide?
The IUPAC name of N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide (CID 169168502) is N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide.
What is the SMILES notation for N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide?
The canonical SMILES for N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide is Cc1[nH]nc2ccc(NC=O)c(F)c12.
What is the InChIKey of N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide?
The InChIKey is ZZAXRMNTFOJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c1-5-8-6(13-12-5)2-3-7(9(8)10)11-4-14/h2-4H,1H3,(H,11,14)(H,12,13).
What are the key properties of N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide?
N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide has a molecular weight of 193.18 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methyl-2H-indazol-5-yl)formamide is sourced from PubChem (CID 169168502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).