3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea

C10H11FN4O — CID 110470406

IUPAC3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1n[nH]c2ccc(F)cc12
InChIInChI=1S/C10H11FN4O/c1-15(2)10(16)12-9-7-5-6(11)3-4-8(7)13-14-9/h3-5H,1-2H3,(H2,12,13,14,16)
InChIKeyMKILACFTXGBWPJ-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.80
Rot. Bonds1

About 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea

3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea (PubChem CID 110470406) has the molecular formula C10H11FN4O and a molecular weight of 222.22 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea
PubChem CID110470406
Molecular FormulaC10H11FN4O
Molecular Weight222.22 g/mol
Exact Mass222.09
IUPAC Name3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea
SMILESCN(C)C(=O)Nc1n[nH]c2ccc(F)cc12
InChIInChI=1S/C10H11FN4O/c1-15(2)10(16)12-9-7-5-6(11)3-4-8(7)13-14-9/h3-5H,1-2H3,(H2,12,13,14,16)
InChIKeyMKILACFTXGBWPJ-UHFFFAOYSA-N
XLogP1.80
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide
CID 110471863
5-fluoro-N-methyl-1H-indazole-3-carboxamide
CID 110469324
3-(2,5-difluorophenyl)-1,1-dimethylurea
CID 110459919
3-(2-bromo-5-fluorophenyl)-1,1-dimethylurea
CID 103755890
3-acetyl-6-fluoro-1H-cinnolin-4-one
CID 39733177
N-(5-fluoro-1H-indazol-3-yl)-6-methylquinazolin-4-amine
CID 144534779
N-(5-fluoro-1H-indazol-3-yl)-6-propan-2-ylsulfinylquinolin-4-amine
CID 123163102
6-fluoro-N-methyl-1H-indazol-3-amine
CID 147996329
5-(4-fluoro-2-methylphenyl)-N-methyl-1H-indazol-3-amine
CID 170248789
N-[(6-fluoro-1H-indazol-3-yl)carbamothioyl]-4-methylbenzamide
CID 118119285
4-amino-N-[5-(diethylamino)-1H-indazol-3-yl]butanamide
CID 142656171
N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 142656198

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea?
The IUPAC name of 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea (CID 110470406) is 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea is CN(C)C(=O)Nc1n[nH]c2ccc(F)cc12.
What is the InChIKey of 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea?
The InChIKey is MKILACFTXGBWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O/c1-15(2)10(16)12-9-7-5-6(11)3-4-8(7)13-14-9/h3-5H,1-2H3,(H2,12,13,14,16).
What are the key properties of 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea?
3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea has a molecular weight of 222.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indazol-3-yl)-1,1-dimethylurea is sourced from PubChem (CID 110470406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).