1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea

C15H26N4O — CID 136539463

IUPAC1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea
SMILESCC1CCC(C)(NC(=O)Nc2ccn(C(C)C)n2)CC1
InChIInChI=1S/C15H26N4O/c1-11(2)19-10-7-13(18-19)16-14(20)17-15(4)8-5-12(3)6-9-15/h7,10-12H,5-6,8-9H2,1-4H3,(H2,16,17,18,20)
InChIKeyLBUQDHVUQGVPLD-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.55
Rot. Bonds3

About 1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea

1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea (PubChem CID 136539463) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea
PubChem CID136539463
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea
SMILESCC1CCC(C)(NC(=O)Nc2ccn(C(C)C)n2)CC1
InChIInChI=1S/C15H26N4O/c1-11(2)19-10-7-13(18-19)16-14(20)17-15(4)8-5-12(3)6-9-15/h7,10-12H,5-6,8-9H2,1-4H3,(H2,16,17,18,20)
InChIKeyLBUQDHVUQGVPLD-UHFFFAOYSA-N
XLogP3.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Butyl-3-(2-cyclohexylpyrazol-3-yl)urea
CID 2103165
1-(1-Adamantyl)-3-(1-ethylpyrazol-3-yl)urea
CID 71602996
3-cyclohexyl-N-(1-methylpyrazol-3-yl)propanamide
CID 18152589
N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 40199339
N-(2-cyclohexylpyrazol-3-yl)propanamide
CID 40199343
3-(Propan-2-YL)-1-(1-propyl-1H-pyrazol-3-YL)urea
CID 53017230
3-Tert-butyl-1-(1-propyl-1H-pyrazol-3-YL)urea
CID 53017239
1-(1-Ethyl-1H-pyrazol-3-YL)-3-(2-methylpropyl)urea
CID 53017248
2-[[2-[[2-(Cyclohexylmethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 56818419
1-(4,4-Dimethylcyclohexyl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 71992405
3-[1-(3-Cyanopropyl)pyrazol-3-yl]-1-(1,3-dimethylpiperidin-4-yl)-1-methylurea
CID 75427332
3-[3-[(2,4-Dimethylcyclohexyl)amino]pyrazol-1-yl]propanamide
CID 75521112

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea (CID 136539463) is 1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea is CC1CCC(C)(NC(=O)Nc2ccn(C(C)C)n2)CC1.
What is the InChIKey of 1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea?
The InChIKey is LBUQDHVUQGVPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-11(2)19-10-7-13(18-19)16-14(20)17-15(4)8-5-12(3)6-9-15/h7,10-12H,5-6,8-9H2,1-4H3,(H2,16,17,18,20).
What are the key properties of 1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea?
1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea has a molecular weight of 278.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylcyclohexyl)-3-(1-propan-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 136539463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).