1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea

C19H30N4O — CID 78880682

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
SMILESCc1cc(C)n(CCCNC(=O)NC2CC3CC2C2CCCC32)n1
InChIInChI=1S/C19H30N4O/c1-12-9-13(2)23(22-12)8-4-7-20-19(24)21-18-11-14-10-17(18)16-6-3-5-15(14)16/h9,14-18H,3-8,10-11H2,1-2H3,(H2,20,21,24)
InChIKeyHTQWLOCLSLSKDI-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.01
Rot. Bonds5

About 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea (PubChem CID 78880682) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
PubChem CID78880682
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
SMILESCc1cc(C)n(CCCNC(=O)NC2CC3CC2C2CCCC32)n1
InChIInChI=1S/C19H30N4O/c1-12-9-13(2)23(22-12)8-4-7-20-19(24)21-18-11-14-10-17(18)16-6-3-5-15(14)16/h9,14-18H,3-8,10-11H2,1-2H3,(H2,20,21,24)
InChIKeyHTQWLOCLSLSKDI-UHFFFAOYSA-N
XLogP3.01
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.01
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
1-cyclohexyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19575124
1-(3-cyclohexyloxypropyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 86993142
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 115737973
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 78880674
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
2-(cyclopentylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 115574328
1-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 114538459
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426633
cis-(1R,2S)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124574731

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea (CID 78880682) is 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea is Cc1cc(C)n(CCCNC(=O)NC2CC3CC2C2CCCC32)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
The InChIKey is HTQWLOCLSLSKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-12-9-13(2)23(22-12)8-4-7-20-19(24)21-18-11-14-10-17(18)16-6-3-5-15(14)16/h9,14-18H,3-8,10-11H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea?
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea has a molecular weight of 330.48 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea is sourced from PubChem (CID 78880682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).