1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea

Name: 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₄F₂N₄O — CID 177381914

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea

SMILESCNC(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12

InChIInChI=1S/C16H14F2N4O/c1-19-16(23)20-15-13-7-9(2-3-14(13)21-22-15)4-10-5-11(17)8-12(18)6-10/h2-3,5-8H,4H2,1H3,(H3,19,20,21,22,23)

InChIKeyVELZIBCSBGEGFC-UHFFFAOYSA-N

MW316.31 g/mol

LogP3.18

Rot. Bonds3

About 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea

1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea (PubChem CID 177381914) has the molecular formula C₁₆H₁₄F₂N₄O and a molecular weight of 316.31 g/mol. Its IUPAC name is 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea.

Molecular Properties

Compound Name	1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea
PubChem CID	177381914
Molecular Formula	C₁₆H₁₄F₂N₄O
Molecular Weight	316.31 g/mol
Exact Mass	316.11
IUPAC Name	1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea
SMILES	CNC(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12
InChI	InChI=1S/C16H14F2N4O/c1-19-16(23)20-15-13-7-9(2-3-14(13)21-22-15)4-10-5-11(17)8-12(18)6-10/h2-3,5-8H,4H2,1H3,(H3,19,20,21,22,23)
InChIKey	VELZIBCSBGEGFC-UHFFFAOYSA-N
XLogP	3.18
TPSA	69.81 Å²
H-Bond Donors	3
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.31
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea?

The IUPAC name of 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea (CID 177381914) is 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea.

What is the SMILES notation for 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea?

The canonical SMILES for 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea is CNC(=O)Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12.

What is the InChIKey of 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea?

The InChIKey is VELZIBCSBGEGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-19-16(23)20-15-13-7-9(2-3-14(13)21-22-15)4-10-5-11(17)8-12(18)6-10/h2-3,5-8H,4H2,1H3,(H3,19,20,21,22,23).

What are the key properties of 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea?

1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea has a molecular weight of 316.31 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-3-methylurea is sourced from PubChem (CID 177381914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 177381914 — identifiers, structure, computed properties (public domain)

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