1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C21H34N4O — CID 95032727

IUPAC1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H34N4O/c1-12(19-13(2)24-25(5)14(19)3)22-20(26)23-15(4)21-9-16-6-17(10-21)8-18(7-16)11-21/h12,15-18H,6-11H2,1-5H3,(H2,22,23,26)/t12-,15-,16?,17?,18?,21?/m1/s1
InChIKeyXUHWJFDASOPIRJ-KUPHYXKRSA-N
MW358.53 g/mol
LogP4.00
Rot. Bonds4

About 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 95032727) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID95032727
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1[C@@H](C)NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H34N4O/c1-12(19-13(2)24-25(5)14(19)3)22-20(26)23-15(4)21-9-16-6-17(10-21)8-18(7-16)11-21/h12,15-18H,6-11H2,1-5H3,(H2,22,23,26)/t12-,15-,16?,17?,18?,21?/m1/s1
InChIKeyXUHWJFDASOPIRJ-KUPHYXKRSA-N
XLogP4.00
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea with MolForge

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Related Compounds

2-(1-adamantylsulfanyl)-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 125163348
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
N-[(1R)-1-(1-adamantyl)propyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 40726754
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 96518570
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
CID 95623237
2-[1-(1-adamantyl)ethylcarbamoylamino]propanoic acid
CID 61182192
N-[(2,2-dimethylcyclopropyl)methyl]-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 113348518
2-(1-methylpiperidin-4-yl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 166224937
1-cyclohexyl-1-(cyclopropylmethyl)-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 95293835
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylpyrazine-2-carboxamide
CID 7929638
1-[2-methyl-2-[(3R)-3-methylpiperidin-1-yl]propyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 98756215
3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066726

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 95032727) is 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1[C@@H](C)NC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is XUHWJFDASOPIRJ-KUPHYXKRSA-N. The full InChI is InChI=1S/C21H34N4O/c1-12(19-13(2)24-25(5)14(19)3)22-20(26)23-15(4)21-9-16-6-17(10-21)8-18(7-16)11-21/h12,15-18H,6-11H2,1-5H3,(H2,22,23,26)/t12-,15-,16?,17?,18?,21?/m1/s1.
What are the key properties of 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 358.53 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(1-adamantyl)ethyl]-3-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 95032727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).