1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea

C18H25N5O2 — CID 154806309

IUPAC1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea
SMILESCc1cc(=O)n(C)cc1NC(=O)Nc1cc(C)n(C2CCCCC2)n1
InChIInChI=1S/C18H25N5O2/c1-12-9-17(24)22(3)11-15(12)19-18(25)20-16-10-13(2)23(21-16)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,19,20,21,25)
InChIKeyYMLRHKAFUWRZOQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.35
Rot. Bonds3

About 1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea

1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea (PubChem CID 154806309) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea
PubChem CID154806309
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea
SMILESCc1cc(=O)n(C)cc1NC(=O)Nc1cc(C)n(C2CCCCC2)n1
InChIInChI=1S/C18H25N5O2/c1-12-9-17(24)22(3)11-15(12)19-18(25)20-16-10-13(2)23(21-16)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,19,20,21,25)
InChIKeyYMLRHKAFUWRZOQ-UHFFFAOYSA-N
XLogP3.35
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea?
The IUPAC name of 1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea (CID 154806309) is 1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea.
What is the SMILES notation for 1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea?
The canonical SMILES for 1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea is Cc1cc(=O)n(C)cc1NC(=O)Nc1cc(C)n(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea?
The InChIKey is YMLRHKAFUWRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-9-17(24)22(3)11-15(12)19-18(25)20-16-10-13(2)23(21-16)14-7-5-4-6-8-14/h9-11,14H,4-8H2,1-3H3,(H2,19,20,21,25).
What are the key properties of 1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea?
1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea has a molecular weight of 343.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-(1,4-dimethyl-6-oxo-3-pyridinyl)urea is sourced from PubChem (CID 154806309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).