1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea

C17H26N4O — CID 71602997

IUPAC1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea
SMILESCCn1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C
InChIInChI=1S/C17H26N4O/c1-3-21-11(2)4-15(20-21)18-16(22)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h4,12-14H,3,5-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyLDLKXIJEZCGQCE-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.30
Rot. Bonds3

About 1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea

1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea (PubChem CID 71602997) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea
PubChem CID71602997
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea
SMILESCCn1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C
InChIInChI=1S/C17H26N4O/c1-3-21-11(2)4-15(20-21)18-16(22)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h4,12-14H,3,5-10H2,1-2H3,(H2,18,19,20,22)
InChIKeyLDLKXIJEZCGQCE-UHFFFAOYSA-N
XLogP3.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Adamantyl)-3-(1-ethylpyrazol-3-yl)urea
CID 71602996
1-(1-Adamantyl)-3-(5-methyl-1-propyl-pyrazol-3-yl)urea
CID 71602998
1-(2-Adamantyl)-3-(5-methyl-1-propyl-pyrazol-3-yl)urea
CID 71603119
1-(2-Adamantyl)-3-(1-ethyl-5-methyl-pyrazol-3-yl)urea
CID 71603118
2-[5-(1-adamantylmethylamino)-3-methylpyrazol-1-yl]-4-ethyl-1H-pyrimidin-6-one
CID 169018053
2-(1-Adamantyl)-5-methylpyrazol-3-amine
CID 13164494
1-(2,5-Dimethylpyrazol-3-yl)-3-[1-(trifluoromethyl)cyclohexyl]urea
CID 72042129
N-(1-cyclohexyl-5-methylpyrazol-3-yl)-3-fluoro-3-methylpiperidine-1-carboxamide
CID 137926737
1-[4,4-Difluoro-1-(trifluoromethyl)cyclohexyl]-3-(1,5-dimethylpyrazol-3-yl)urea
CID 167838270
1-(1-Adamantyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 17270109
1-(1-Adamantyl)-3-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]urea
CID 19283631
1-(1-Adamantyl)-3-[3-(3-methylpyrazol-1-yl)propyl]urea
CID 19334012

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea (CID 71602997) is 1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea is CCn1nc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1C.
What is the InChIKey of 1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea?
The InChIKey is LDLKXIJEZCGQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-21-11(2)4-15(20-21)18-16(22)19-17-8-12-5-13(9-17)7-14(6-12)10-17/h4,12-14H,3,5-10H2,1-2H3,(H2,18,19,20,22).
What are the key properties of 1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea?
1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea has a molecular weight of 302.42 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-(1-ethyl-5-methylpyrazol-3-yl)urea is sourced from PubChem (CID 71602997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).