N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide

C16H14FN3O — CID 37017710

IUPACN-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2n[nH]c3ccccc23)ccc1F
InChIInChI=1S/C16H14FN3O/c1-10-8-11(6-7-13(10)17)9-18-16(21)15-12-4-2-3-5-14(12)19-20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyYFCDHQYYXNZSFH-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.94
Rot. Bonds3

About N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide

N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide (PubChem CID 37017710) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
PubChem CID37017710
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide
SMILESCc1cc(CNC(=O)c2n[nH]c3ccccc23)ccc1F
InChIInChI=1S/C16H14FN3O/c1-10-8-11(6-7-13(10)17)9-18-16(21)15-12-4-2-3-5-14(12)19-20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKeyYFCDHQYYXNZSFH-UHFFFAOYSA-N
XLogP2.94
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluoro-3-methylphenyl)methyl]-5-nitro-1H-indazole-3-carboxamide
CID 35413572
N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-1H-indazole-3-carboxamide
CID 170858384
N-[(4-acetamidophenyl)methyl]-1H-indazole-3-carboxamide
CID 18154228
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-[(4-cyanophenyl)methyl]-1H-indazole-3-carboxamide
CID 60737768
ethyl 5-[(1H-indazole-3-carbonylamino)methyl]furan-2-carboxylate
CID 71976298
N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-1H-indazole-3-carboxamide
CID 47827735
N-[(2-chlorophenyl)methyl]-1H-indazole-3-carboxamide;N-[(4-methylphenyl)methyl]-1H-indazole-3-carboxamide
CID 69079053
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-3-carboxamide
CID 16866372
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-indazole-3-carboxamide
CID 115991487
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-1H-indazole-3-carboxamide
CID 99519272
N-(5-chloro-2-fluorophenyl)-1H-indazole-3-carboxamide
CID 60700965

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide (CID 37017710) is N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide is Cc1cc(CNC(=O)c2n[nH]c3ccccc23)ccc1F.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide?
The InChIKey is YFCDHQYYXNZSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-8-11(6-7-13(10)17)9-18-16(21)15-12-4-2-3-5-14(12)19-20-15/h2-8H,9H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide?
N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)methyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 37017710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).