ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate

C17H15F2N3O2 — CID 177381915

IUPACethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate
SMILESCCOC(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
InChIInChI=1S/C17H15F2N3O2/c1-2-24-17(23)20-16-14-8-10(3-4-15(14)21-22-16)5-11-6-12(18)9-13(19)7-11/h3-4,6-9H,2,5H2,1H3,(H2,20,21,22,23)
InChIKeyPPBKVTTVRQECPJ-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.00
Rot. Bonds4

About ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate

ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate (PubChem CID 177381915) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate
PubChem CID177381915
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Nameethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate
SMILESCCOC(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
InChIInChI=1S/C17H15F2N3O2/c1-2-24-17(23)20-16-14-8-10(3-4-15(14)21-22-16)5-11-6-12(18)9-13(19)7-11/h3-4,6-9H,2,5H2,1H3,(H2,20,21,22,23)
InChIKeyPPBKVTTVRQECPJ-UHFFFAOYSA-N
XLogP4.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate?
The IUPAC name of ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate (CID 177381915) is ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate.
What is the SMILES notation for ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate?
The canonical SMILES for ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate is CCOC(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12.
What is the InChIKey of ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate?
The InChIKey is PPBKVTTVRQECPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-2-24-17(23)20-16-14-8-10(3-4-15(14)21-22-16)5-11-6-12(18)9-13(19)7-11/h3-4,6-9H,2,5H2,1H3,(H2,20,21,22,23).
What are the key properties of ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate?
ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate has a molecular weight of 331.32 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamate is sourced from PubChem (CID 177381915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).