1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea

C19H26N6O2 — CID 74924579

IUPAC1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea
SMILESCC1CC(=O)NC(n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)N1
InChIInChI=1S/C19H26N6O2/c1-12-10-16(26)23-17(20-12)25-15(11-14(24-25)19(2,3)4)22-18(27)21-13-8-6-5-7-9-13/h5-9,11-12,17,20H,10H2,1-4H3,(H,23,26)(H2,21,22,27)
InChIKeyMAWUDUZUQYOJSN-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.78
Rot. Bonds3

About 1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea

1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea (PubChem CID 74924579) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea
PubChem CID74924579
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea
SMILESCC1CC(=O)NC(n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)N1
InChIInChI=1S/C19H26N6O2/c1-12-10-16(26)23-17(20-12)25-15(11-14(24-25)19(2,3)4)22-18(27)21-13-8-6-5-7-9-13/h5-9,11-12,17,20H,10H2,1-4H3,(H,23,26)(H2,21,22,27)
InChIKeyMAWUDUZUQYOJSN-UHFFFAOYSA-N
XLogP2.78
TPSA100.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(4-methoxyphenyl)urea
CID 74924575
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 74924563
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-[(4-chlorophenyl)methyl]urea
CID 74924558
1-[3-tert-butyl-1-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(4-tert-butylphenyl)urea
CID 74924752
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-ethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 74924661
1-benzyl-3-[3-tert-butyl-1-(4,5-dimethyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]urea
CID 74924750
1-[3-tert-butyl-1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(4-tert-butylphenyl)urea
CID 74924849
1-cyclohexyl-3-[1-(4-methyl-6-oxo-1,3-diazinan-2-yl)-3-phenylpyrazol-5-yl]urea
CID 74924593
1-[3-tert-butyl-1-(4-oxo-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-3-(3-chlorophenyl)urea
CID 74924949
1-[3-tert-butyl-1-(5-ethyl-4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-(3-methoxyphenyl)urea
CID 74924870

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea?
The IUPAC name of 1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea (CID 74924579) is 1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea.
What is the SMILES notation for 1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea?
The canonical SMILES for 1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea is CC1CC(=O)NC(n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)N1.
What is the InChIKey of 1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea?
The InChIKey is MAWUDUZUQYOJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-12-10-16(26)23-17(20-12)25-15(11-14(24-25)19(2,3)4)22-18(27)21-13-8-6-5-7-9-13/h5-9,11-12,17,20H,10H2,1-4H3,(H,23,26)(H2,21,22,27).
What are the key properties of 1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea?
1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea has a molecular weight of 370.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-1-(4-methyl-6-oxo-1,3-diazinan-2-yl)pyrazol-5-yl]-3-phenylurea is sourced from PubChem (CID 74924579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).