1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea

C17H28N4O2 — CID 111474390

IUPAC1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCC1CCCC(O)C1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C17H28N4O2/c22-15-8-4-5-13(11-15)12-18-17(23)20-16-9-10-19-21(16)14-6-2-1-3-7-14/h9-10,13-15,22H,1-8,11-12H2,(H2,18,20,23)
InChIKeyLQVQGHDTDMCQPB-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.06
Rot. Bonds4

About 1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea

1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea (PubChem CID 111474390) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea
PubChem CID111474390
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea
SMILESO=C(NCC1CCCC(O)C1)Nc1ccnn1C1CCCCC1
InChIInChI=1S/C17H28N4O2/c22-15-8-4-5-13(11-15)12-18-17(23)20-16-9-10-19-21(16)14-6-2-1-3-7-14/h9-10,13-15,22H,1-8,11-12H2,(H2,18,20,23)
InChIKeyLQVQGHDTDMCQPB-UHFFFAOYSA-N
XLogP3.06
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea (CID 111474390) is 1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea is O=C(NCC1CCCC(O)C1)Nc1ccnn1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea?
The InChIKey is LQVQGHDTDMCQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c22-15-8-4-5-13(11-15)12-18-17(23)20-16-9-10-19-21(16)14-6-2-1-3-7-14/h9-10,13-15,22H,1-8,11-12H2,(H2,18,20,23).
What are the key properties of 1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea?
1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea has a molecular weight of 320.44 g/mol, XLogP of 3.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrazol-3-yl)-3-[(3-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 111474390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).