1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea

C24H30N4O — CID 66551491

IUPAC1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea
SMILESCC(C)(C)c1ccc(C2CCCC(NC(=O)Nc3cccc4[nH]ncc34)C2)cc1
InChIInChI=1S/C24H30N4O/c1-24(2,3)18-12-10-16(11-13-18)17-6-4-7-19(14-17)26-23(29)27-21-8-5-9-22-20(21)15-25-28-22/h5,8-13,15,17,19H,4,6-7,14H2,1-3H3,(H,25,28)(H2,26,27,29)
InChIKeySWTVJTQZGUXESH-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.71
Rot. Bonds3

About 1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea

1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea (PubChem CID 66551491) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea
PubChem CID66551491
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea
SMILESCC(C)(C)c1ccc(C2CCCC(NC(=O)Nc3cccc4[nH]ncc34)C2)cc1
InChIInChI=1S/C24H30N4O/c1-24(2,3)18-12-10-16(11-13-18)17-6-4-7-19(14-17)26-23(29)27-21-8-5-9-22-20(21)15-25-28-22/h5,8-13,15,17,19H,4,6-7,14H2,1-3H3,(H,25,28)(H2,26,27,29)
InChIKeySWTVJTQZGUXESH-UHFFFAOYSA-N
XLogP5.71
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea?
The IUPAC name of 1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea (CID 66551491) is 1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea.
What is the SMILES notation for 1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea?
The canonical SMILES for 1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea is CC(C)(C)c1ccc(C2CCCC(NC(=O)Nc3cccc4[nH]ncc34)C2)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea?
The InChIKey is SWTVJTQZGUXESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-24(2,3)18-12-10-16(11-13-18)17-6-4-7-19(14-17)26-23(29)27-21-8-5-9-22-20(21)15-25-28-22/h5,8-13,15,17,19H,4,6-7,14H2,1-3H3,(H,25,28)(H2,26,27,29).
What are the key properties of 1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea?
1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea has a molecular weight of 390.53 g/mol, XLogP of 5.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenyl)cyclohexyl]-3-(1H-indazol-4-yl)urea is sourced from PubChem (CID 66551491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).