1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea

C16H14N4O2 — CID 25197518

IUPAC1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C16H14N4O2/c1-10(21)11-6-8-12(9-7-11)17-16(22)18-15-13-4-2-3-5-14(13)19-20-15/h2-9H,1H3,(H3,17,18,19,20,22)
InChIKeyNWZIPRFDADWYDB-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.41
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea

1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea (PubChem CID 25197518) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea
PubChem CID25197518
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2n[nH]c3ccccc23)cc1
InChIInChI=1S/C16H14N4O2/c1-10(21)11-6-8-12(9-7-11)17-16(22)18-15-13-4-2-3-5-14(13)19-20-15/h2-9H,1H3,(H3,17,18,19,20,22)
InChIKeyNWZIPRFDADWYDB-UHFFFAOYSA-N
XLogP3.41
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea
CID 25197647
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
1-(1H-indazol-3-yl)-3-(3-methylphenyl)urea
CID 62686211
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
1-(1H-indazol-3-yl)-3-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-4-pyridinyl]urea
CID 151735986
N-(1H-indazol-3-yl)prop-2-enamide
CID 62686025
1-(4-acetylphenyl)-3-(2-sulfanylphenyl)urea
CID 108886350
2-amino-N-(1H-indazol-3-yl)acetamide;hydrochloride
CID 130729532
1-(1H-indazol-3-yl)ethanone
CID 15684169
N-(1H-indazol-3-yl)-3-methylsulfanylpropanamide
CID 60735515
4-[3-(1H-indazol-3-ylamino)-3-oxopropyl]benzoic acid
CID 154781594

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea (CID 25197518) is 1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea is CC(=O)c1ccc(NC(=O)Nc2n[nH]c3ccccc23)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea?
The InChIKey is NWZIPRFDADWYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10(21)11-6-8-12(9-7-11)17-16(22)18-15-13-4-2-3-5-14(13)19-20-15/h2-9H,1H3,(H3,17,18,19,20,22).
What are the key properties of 1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea?
1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea has a molecular weight of 294.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(1H-indazol-3-yl)urea is sourced from PubChem (CID 25197518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).