1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea

C13H14N4O2 — CID 166522744

IUPAC1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea
SMILESCC(=O)c1n[nH]c2ccc(NC(=O)NC3CC3)cc12
InChIInChI=1S/C13H14N4O2/c1-7(18)12-10-6-9(4-5-11(10)16-17-12)15-13(19)14-8-2-3-8/h4-6,8H,2-3H2,1H3,(H,16,17)(H2,14,15,19)
InChIKeyYHJUEAUQLJQFRH-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.05
Rot. Bonds3

About 1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea

1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea (PubChem CID 166522744) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea.

Molecular Properties

Compound Name1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea
PubChem CID166522744
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea
SMILESCC(=O)c1n[nH]c2ccc(NC(=O)NC3CC3)cc12
InChIInChI=1S/C13H14N4O2/c1-7(18)12-10-6-9(4-5-11(10)16-17-12)15-13(19)14-8-2-3-8/h4-6,8H,2-3H2,1H3,(H,16,17)(H2,14,15,19)
InChIKeyYHJUEAUQLJQFRH-UHFFFAOYSA-N
XLogP2.05
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
(3-carbamoyl-1H-indazol-5-yl)carbamic acid
CID 151772440
5-amino-N-(3-methylcyclopentyl)-1H-indazole-3-carboxamide
CID 114542564
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-[5-(cyclopropylcarbamoylamino)-2-fluorophenyl]acetamide
CID 47162368
1-(4-bromo-3-methylphenyl)-3-cyclopropylurea
CID 47127436
1-(3-chloro-4-methylphenyl)-3-cyclopropylurea
CID 6469220
5-amino-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1H-indazole-3-carboxamide
CID 11659418
N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
CID 142208930
1-cyclopentyl-3-(2-methyl-1H-indol-5-yl)urea
CID 38265150
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea?
The IUPAC name of 1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea (CID 166522744) is 1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea.
What is the SMILES notation for 1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea?
The canonical SMILES for 1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea is CC(=O)c1n[nH]c2ccc(NC(=O)NC3CC3)cc12.
What is the InChIKey of 1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea?
The InChIKey is YHJUEAUQLJQFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-7(18)12-10-6-9(4-5-11(10)16-17-12)15-13(19)14-8-2-3-8/h4-6,8H,2-3H2,1H3,(H,16,17)(H2,14,15,19).
What are the key properties of 1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea?
1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea has a molecular weight of 258.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-1H-indazol-5-yl)-3-cyclopropylurea is sourced from PubChem (CID 166522744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).