1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea

C21H28N6O2 — CID 74924593

IUPAC1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
SMILESCC1CC(=O)NC(n2nc(-c3ccccc3)cc2NC(=O)NC2CCCCC2)N1
InChIInChI=1S/C21H28N6O2/c1-14-12-19(28)25-20(22-14)27-18(13-17(26-27)15-8-4-2-5-9-15)24-21(29)23-16-10-6-3-7-11-16/h2,4-5,8-9,13-14,16,20,22H,3,6-7,10-12H2,1H3,(H,25,28)(H2,23,24,29)
InChIKeyKCOYNIHNMJBCHX-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.96
Rot. Bonds4

About 1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea

1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea (PubChem CID 74924593) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
PubChem CID74924593
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
SMILESCC1CC(=O)NC(n2nc(-c3ccccc3)cc2NC(=O)NC2CCCCC2)N1
InChIInChI=1S/C21H28N6O2/c1-14-12-19(28)25-20(22-14)27-18(13-17(26-27)15-8-4-2-5-9-15)24-21(29)23-16-10-6-3-7-11-16/h2,4-5,8-9,13-14,16,20,22H,3,6-7,10-12H2,1H3,(H,25,28)(H2,23,24,29)
InChIKeyKCOYNIHNMJBCHX-UHFFFAOYSA-N
XLogP2.96
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924600
1-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-phenylurea
CID 74924709
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea
CID 74924579
1-(1,3-benzodioxol-5-yl)-3-[1-(4-ethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924708
N-[3-(furan-2-yl)-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylpropanamide
CID 74797561
(E)-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]but-2-enamide
CID 156591279
1-benzhydryl-3-[1-(4-oxo-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924990
1-(3,4-dichlorophenyl)-3-[1-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924790
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(4-tert-butylphenyl)urea
CID 74924556
1-[1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]-3-(4-methylphenyl)urea
CID 74924907
2-(4-fluorophenoxy)-N-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-thiophen-2-ylpyrazol-5-yl]acetamide
CID 74782924
3-cyclopentyl-N-[5-methyl-2-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-3-yl]propanamide
CID 78713882

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea (CID 74924593) is 1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea is CC1CC(=O)NC(n2nc(-c3ccccc3)cc2NC(=O)NC2CCCCC2)N1.
What is the InChIKey of 1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea?
The InChIKey is KCOYNIHNMJBCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14-12-19(28)25-20(22-14)27-18(13-17(26-27)15-8-4-2-5-9-15)24-21(29)23-16-10-6-3-7-11-16/h2,4-5,8-9,13-14,16,20,22H,3,6-7,10-12H2,1H3,(H,25,28)(H2,23,24,29).
What are the key properties of 1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea?
1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea has a molecular weight of 396.50 g/mol, XLogP of 2.96, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 74924593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).