1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea

C18H24N4O — CID 144999837

IUPAC1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cccc(-c2n[nH]c3c2CCC(C)(C)C3)c1
InChIInChI=1S/C18H24N4O/c1-4-19-17(23)20-13-7-5-6-12(10-13)16-14-8-9-18(2,3)11-15(14)21-22-16/h5-7,10H,4,8-9,11H2,1-3H3,(H,21,22)(H2,19,20,23)
InChIKeyORPXSBLGPMACJG-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.73
Rot. Bonds3

About 1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea

1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea (PubChem CID 144999837) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea.

Molecular Properties

Compound Name1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea
PubChem CID144999837
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea
SMILESCCNC(=O)Nc1cccc(-c2n[nH]c3c2CCC(C)(C)C3)c1
InChIInChI=1S/C18H24N4O/c1-4-19-17(23)20-13-7-5-6-12(10-13)16-14-8-9-18(2,3)11-15(14)21-22-16/h5-7,10H,4,8-9,11H2,1-3H3,(H,21,22)(H2,19,20,23)
InChIKeyORPXSBLGPMACJG-UHFFFAOYSA-N
XLogP3.73
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-cyanophenyl)methyl]-3-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]urea
CID 145000621
3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
CID 144999929
N-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 144999809
1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
CID 11187101
1-ethyl-3-[3-(3-methoxyphenyl)phenyl]urea
CID 18977622
N-[3-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)phenyl]acetamide
CID 10214778
1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755854
6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 144999961
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde
CID 145000491
1-[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(2-methylpyrimidin-5-yl)methylamino]-2-pyridinyl]ethanone
CID 144999731
5-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1-methylpyrrolo[2,3-b]pyridine
CID 145000696
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 144999777

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea?
The IUPAC name of 1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea (CID 144999837) is 1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea.
What is the SMILES notation for 1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea?
The canonical SMILES for 1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea is CCNC(=O)Nc1cccc(-c2n[nH]c3c2CCC(C)(C)C3)c1.
What is the InChIKey of 1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea?
The InChIKey is ORPXSBLGPMACJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-19-17(23)20-13-7-5-6-12(10-13)16-14-8-9-18(2,3)11-15(14)21-22-16/h5-7,10H,4,8-9,11H2,1-3H3,(H,21,22)(H2,19,20,23).
What are the key properties of 1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea?
1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea has a molecular weight of 312.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea is sourced from PubChem (CID 144999837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).