1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea

C15H26N4O — CID 19575124

IUPAC1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
SMILESCc1cc(C)n(CCCNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-12-11-13(2)19(18-12)10-6-9-16-15(20)17-14-7-4-3-5-8-14/h11,14H,3-10H2,1-2H3,(H2,16,17,20)
InChIKeyTUJPYFNZFUUOHF-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.52
Rot. Bonds5

About 1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea

1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea (PubChem CID 19575124) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
PubChem CID19575124
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
SMILESCc1cc(C)n(CCCNC(=O)NC2CCCCC2)n1
InChIInChI=1S/C15H26N4O/c1-12-11-13(2)19(18-12)10-6-9-16-15(20)17-14-7-4-3-5-8-14/h11,14H,3-10H2,1-2H3,(H2,16,17,20)
InChIKeyTUJPYFNZFUUOHF-UHFFFAOYSA-N
XLogP2.52
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclobutyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 113233160
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
N-cyclohexyl-2-[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111280151
1-(3-cyclohexyloxypropyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 86993142
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 78880674
3-cyclohexyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 47005374
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
CID 78880682
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-2-carboxamide
CID 114536594
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426633
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]azepane-1-carboxamide
CID 115575262

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The IUPAC name of 1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea (CID 19575124) is 1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea is Cc1cc(C)n(CCCNC(=O)NC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea?
The InChIKey is TUJPYFNZFUUOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12-11-13(2)19(18-12)10-6-9-16-15(20)17-14-7-4-3-5-8-14/h11,14H,3-10H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea?
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea has a molecular weight of 278.40 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea is sourced from PubChem (CID 19575124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).