1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea

C17H24N4O2 — CID 111578705

IUPAC1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea
SMILESCC(C)n1cc2cc(NC(=O)NC3CCC(O)CC3)ccc2n1
InChIInChI=1S/C17H24N4O2/c1-11(2)21-10-12-9-14(5-8-16(12)20-21)19-17(23)18-13-3-6-15(22)7-4-13/h5,8-11,13,15,22H,3-4,6-7H2,1-2H3,(H2,18,19,23)
InChIKeyLFRVWAKNVDIGJR-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.04
Rot. Bonds3

About 1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea

1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea (PubChem CID 111578705) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea
PubChem CID111578705
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea
SMILESCC(C)n1cc2cc(NC(=O)NC3CCC(O)CC3)ccc2n1
InChIInChI=1S/C17H24N4O2/c1-11(2)21-10-12-9-14(5-8-16(12)20-21)19-17(23)18-13-3-6-15(22)7-4-13/h5,8-11,13,15,22H,3-4,6-7H2,1-2H3,(H2,18,19,23)
InChIKeyLFRVWAKNVDIGJR-UHFFFAOYSA-N
XLogP3.04
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea?
The IUPAC name of 1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea (CID 111578705) is 1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea is CC(C)n1cc2cc(NC(=O)NC3CCC(O)CC3)ccc2n1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea?
The InChIKey is LFRVWAKNVDIGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11(2)21-10-12-9-14(5-8-16(12)20-21)19-17(23)18-13-3-6-15(22)7-4-13/h5,8-11,13,15,22H,3-4,6-7H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea?
1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea has a molecular weight of 316.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea is sourced from PubChem (CID 111578705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).