3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea

C19H30N4O — CID 2933348

IUPAC3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea
SMILESCCn1ncc(CN(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C19H30N4O/c1-4-23-13(2)17(11-20-23)12-22(3)18(24)21-19-8-14-5-15(9-19)7-16(6-14)10-19/h11,14-16H,4-10,12H2,1-3H3,(H,21,24)
InChIKeyLMOLLPNCRAHFOB-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.32
Rot. Bonds4

About 3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea

3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea (PubChem CID 2933348) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea
PubChem CID2933348
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea
SMILESCCn1ncc(CN(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C
InChIInChI=1S/C19H30N4O/c1-4-23-13(2)17(11-20-23)12-22(3)18(24)21-19-8-14-5-15(9-19)7-16(6-14)10-19/h11,14-16H,4-10,12H2,1-3H3,(H,21,24)
InChIKeyLMOLLPNCRAHFOB-UHFFFAOYSA-N
XLogP3.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea (CID 2933348) is 3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea is CCn1ncc(CN(C)C(=O)NC23CC4CC(CC(C4)C2)C3)c1C.
What is the InChIKey of 3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea?
The InChIKey is LMOLLPNCRAHFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-4-23-13(2)17(11-20-23)12-22(3)18(24)21-19-8-14-5-15(9-19)7-16(6-14)10-19/h11,14-16H,4-10,12H2,1-3H3,(H,21,24).
What are the key properties of 3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea?
3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea has a molecular weight of 330.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-adamantyl)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 2933348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).