1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea

C13H16N4O2 — CID 76850570

IUPAC1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc2n[nH]c(C=O)c2c1
InChIInChI=1S/C13H16N4O2/c1-13(2,3)15-12(19)14-8-4-5-10-9(6-8)11(7-18)17-16-10/h4-7H,1-3H3,(H,16,17)(H2,14,15,19)
InChIKeyRCYAFRIASOFUDO-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.30
Rot. Bonds2

About 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea

1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea (PubChem CID 76850570) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea
PubChem CID76850570
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea
SMILESCC(C)(C)NC(=O)Nc1ccc2n[nH]c(C=O)c2c1
InChIInChI=1S/C13H16N4O2/c1-13(2,3)15-12(19)14-8-4-5-10-9(6-8)11(7-18)17-16-10/h4-7H,1-3H3,(H,16,17)(H2,14,15,19)
InChIKeyRCYAFRIASOFUDO-UHFFFAOYSA-N
XLogP2.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea 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

1-tert-butyl-3-(3,4-difluorophenyl)urea
CID 78786872
1-tert-butyl-3-(2,3-diphenylquinoxalin-6-yl)urea
CID 71295974
3-[4-(tert-butylcarbamoylamino)-2-fluorophenyl]prop-2-enoic acid
CID 77069562
1-tert-butyl-3-(4-methyl-2-oxochromen-7-yl)urea
CID 110749119
tert-butyl N-(3-methyl-2H-indazol-5-yl)carbamate
CID 22567266
5-iodo-2H-indazole-3-carbaldehyde
CID 23134546
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303
1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea
CID 175206038
1-tert-butyl-3-(3,5-dimethylphenyl)urea
CID 6469320
1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea
CID 59023753
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
1-tert-butyl-3-(3-methyl-4-nitrophenyl)urea
CID 113224570

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea?
The IUPAC name of 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea (CID 76850570) is 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea is CC(C)(C)NC(=O)Nc1ccc2n[nH]c(C=O)c2c1.
What is the InChIKey of 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea?
The InChIKey is RCYAFRIASOFUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(2,3)15-12(19)14-8-4-5-10-9(6-8)11(7-18)17-16-10/h4-7H,1-3H3,(H,16,17)(H2,14,15,19).
What are the key properties of 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea?
1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea has a molecular weight of 260.30 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-formyl-2H-indazol-5-yl)urea is sourced from PubChem (CID 76850570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).