1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea

C11H18N4O — CID 47198275

IUPAC1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCCC2)n(C)n1
InChIInChI=1S/C11H18N4O/c1-8-7-10(15(2)14-8)13-11(16)12-9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H2,12,13,16)
InChIKeyFJSRQEFZKRKNQW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.79
Rot. Bonds2

About 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea

1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea (PubChem CID 47198275) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea
PubChem CID47198275
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea
SMILESCc1cc(NC(=O)NC2CCCC2)n(C)n1
InChIInChI=1S/C11H18N4O/c1-8-7-10(15(2)14-8)13-11(16)12-9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H2,12,13,16)
InChIKeyFJSRQEFZKRKNQW-UHFFFAOYSA-N
XLogP1.79
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
3-cyclohexyl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135409934
1-Cyclopentyl-3-methyl-1H-pyrazol-5-amine
CID 3152524
3-butan-2-yl-7-methyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135540428
1-Butyl-3-(3-tert-butyl-1-methylpyrazol-5-yl)urea
CID 2811754
N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 45791474
2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-3-yl)acetamide
CID 46981201
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-hydroxypropyl)urea
CID 47198265
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2,4-dimethylpiperazine-1-carboxamide
CID 71877041
N-(2,5-Dimethylpyrazol-3-YL)-2,4-dimethylpiperazine-1-carboxamide
CID 71877042
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
CID 71877055

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea (CID 47198275) is 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea is Cc1cc(NC(=O)NC2CCCC2)n(C)n1.
What is the InChIKey of 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea?
The InChIKey is FJSRQEFZKRKNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-7-10(15(2)14-8)13-11(16)12-9-5-3-4-6-9/h7,9H,3-6H2,1-2H3,(H2,12,13,16).
What are the key properties of 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea?
1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea has a molecular weight of 222.29 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)urea is sourced from PubChem (CID 47198275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).