1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea

C16H22N4O2 — CID 111618107

IUPAC1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccc2nn(C(C)C)cc2c1
InChIInChI=1S/C16H22N4O2/c1-4-7-19(8-9-21)16(22)17-14-5-6-15-13(10-14)11-20(18-15)12(2)3/h4-6,10-12,21H,1,7-9H2,2-3H3,(H,17,22)
InChIKeyBAECZHDDNYPGIJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.63
Rot. Bonds6

About 1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea (PubChem CID 111618107) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea
PubChem CID111618107
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)Nc1ccc2nn(C(C)C)cc2c1
InChIInChI=1S/C16H22N4O2/c1-4-7-19(8-9-21)16(22)17-14-5-6-15-13(10-14)11-20(18-15)12(2)3/h4-6,10-12,21H,1,7-9H2,2-3H3,(H,17,22)
InChIKeyBAECZHDDNYPGIJ-UHFFFAOYSA-N
XLogP2.63
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(S)-1-(4-(1H-indazol-5-ylamino)piperidin-1-yl)-2-hydroxypropan-1-one
CID 16662085
1-(1-Benzyl-piperidin-4-yl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-5-yl]-urea
CID 44402635
N-hexylindazole-1-carboxamide
CID 137653597
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
CID 70689793
3-(1H-indazol-5-yl)-1-methyl-1-(2-phenylethyl)urea
CID 70693983
N-{4-[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]phenyl}-1,3-dihydro-2H-isoindole-2-carboxamide
CID 57509948
3-(1H-indazol-5-yl)-1,1-dimethylurea
CID 70683491
US11718605, Example 11
CID 134177910
N-heptyl-N-methylindazole-2-carboxamide
CID 12285826
N-(1-acetylindazol-5-yl)acetamide
CID 14918536
1-[2-(4-Fluorophenyl)ethyl]-3-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]urea
CID 42962126
N-(1-benzyl-4-piperidyl)-N0-(1H-5-indazolyl)urea
CID 44421916

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea (CID 111618107) is 1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea is C=CCN(CCO)C(=O)Nc1ccc2nn(C(C)C)cc2c1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea?
The InChIKey is BAECZHDDNYPGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-4-7-19(8-9-21)16(22)17-14-5-6-15-13(10-14)11-20(18-15)12(2)3/h4-6,10-12,21H,1,7-9H2,2-3H3,(H,17,22).
What are the key properties of 1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea has a molecular weight of 302.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(2-propan-2-ylindazol-5-yl)-1-prop-2-enylurea is sourced from PubChem (CID 111618107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).