1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea

C16H20N4O — CID 108912229

IUPAC1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
SMILESO=C(N/C=C/C1CCCCC1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H20N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-7-6-13-11-18-20-15(13)10-14/h6-12H,1-5H2,(H,18,20)(H2,17,19,21)/b9-8+
InChIKeyBWNDQFFFBWHUJH-CMDGGOBGSA-N
MW284.36 g/mol
LogP3.78
Rot. Bonds3

About 1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea

1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea (PubChem CID 108912229) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
PubChem CID108912229
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea
SMILESO=C(N/C=C/C1CCCCC1)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H20N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-7-6-13-11-18-20-15(13)10-14/h6-12H,1-5H2,(H,18,20)(H2,17,19,21)/b9-8+
InChIKeyBWNDQFFFBWHUJH-CMDGGOBGSA-N
XLogP3.78
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Abt 102
CID 11256560
1-[(1R,3R)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 60202428
1-[(1S,3S)-3-(2-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549082
1-[(1S,3S)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549271
1-[(1S,3R)-3-(3-fluorophenyl)cyclopentyl]-3-(1H-indazol-4-yl)urea
CID 66549275
1-(1H-indazol-4-yl)-3-[(1S,3S)-3-phenylcyclopentyl]urea
CID 66551085
1-(1H-indazol-4-yl)-3-[(1S,3R)-3-phenylcyclopentyl]urea
CID 66551282
N,N'-Di(1H-indazol-6-yl)thiourea
CID 3003797
1-{[4-(azepan-1-yl)-3-fluorophenyl]methyl}-3-1H-indazol-4-ylurea
CID 11338019
3-1H-indazol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 11416356
A-795614
CID 11451659
1-{[4-(azepan-1-yl)-2-(trifluoromethyl)phenyl]methyl}-3-1H-indazol-4-ylurea
CID 16748249

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea (CID 108912229) is 1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea is O=C(N/C=C/C1CCCCC1)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea?
The InChIKey is BWNDQFFFBWHUJH-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16(17-9-8-12-4-2-1-3-5-12)19-14-7-6-13-11-18-20-15(13)10-14/h6-12H,1-5H2,(H,18,20)(H2,17,19,21)/b9-8+.
What are the key properties of 1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea?
1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyclohexylethenyl]-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108912229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).