1-[(4-fluorophenyl)methyl]indazole-3-carboxamide

C15H12FN3O — CID 22072655

IUPAC1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C15H12FN3O/c16-11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)14(18-19)15(17)20/h1-8H,9H2,(H2,17,20)
InChIKeyFMVDXAZRSRHUNB-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.32
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide

1-[(4-fluorophenyl)methyl]indazole-3-carboxamide (PubChem CID 22072655) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
PubChem CID22072655
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C15H12FN3O/c16-11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)14(18-19)15(17)20/h1-8H,9H2,(H2,17,20)
InChIKeyFMVDXAZRSRHUNB-UHFFFAOYSA-N
XLogP2.32
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
Apinaca
CID 57404063
Adb-butinaca
CID 155907792
(3H)granisetron
CID 3510
5F-Cumyl-PINACA
CID 86274158
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
Amb-fubinaca
CID 119026173
AB-Pinaca
CID 71301472
5-Fluoro-apinaca
CID 71711119
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
1-(4-cyanobutyl)-N-(2-phenylpropan-2-yl)-1H-indazole-3-carboxamide
CID 117650402

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide (CID 22072655) is 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide is NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
The InChIKey is FMVDXAZRSRHUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-11-7-5-10(6-8-11)9-19-13-4-2-1-3-12(13)14(18-19)15(17)20/h1-8H,9H2,(H2,17,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide?
1-[(4-fluorophenyl)methyl]indazole-3-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 22072655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).