1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea

C11H18N4O2 — CID 47198130

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea
SMILESCc1cc(NC(=O)NCC2CCOC2)n(C)n1
InChIInChI=1S/C11H18N4O2/c1-8-5-10(15(2)14-8)13-11(16)12-6-9-3-4-17-7-9/h5,9H,3-4,6-7H2,1-2H3,(H2,12,13,16)
InChIKeyUVMLZNMMFGEEAG-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.89
Rot. Bonds3

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

1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea (PubChem CID 47198130) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea
PubChem CID47198130
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea
SMILESCc1cc(NC(=O)NCC2CCOC2)n(C)n1
InChIInChI=1S/C11H18N4O2/c1-8-5-10(15(2)14-8)13-11(16)12-6-9-3-4-17-7-9/h5,9H,3-4,6-7H2,1-2H3,(H2,12,13,16)
InChIKeyUVMLZNMMFGEEAG-UHFFFAOYSA-N
XLogP0.89
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-3-amine
CID 131047869
1-(2,5-dimethylpyrazol-3-yl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 51084678
1-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)urea
CID 115581841
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
1,3,5-trimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 53499972
2-cyclohexyl-N-[2-[(2,5-dimethylpyrazol-3-yl)carbamoylamino]ethyl]acetamide
CID 47093320
2-amino-N-(2,5-dimethylpyrazol-3-yl)-2-(oxan-4-yl)acetamide
CID 120783566
5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 47182890
1-(4-methoxy-2-methylphenyl)-3-[[(3S)-oxolan-3-yl]methyl]urea
CID 125170007
1-(2,5-dimethylpyrazol-3-yl)-3-[[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxan-3-yl]methyl]urea
CID 131961800
1-(oxan-4-ylmethyl)-3-(2,4,6-trimethylphenyl)urea
CID 108912803
1-[4-(2-methylimidazol-1-yl)butyl]-3-(oxolan-3-ylmethyl)urea
CID 71990464

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea (CID 47198130) is 1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea is Cc1cc(NC(=O)NCC2CCOC2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea?
The InChIKey is UVMLZNMMFGEEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-5-10(15(2)14-8)13-11(16)12-6-9-3-4-17-7-9/h5,9H,3-4,6-7H2,1-2H3,(H2,12,13,16).
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea?
1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea has a molecular weight of 238.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-(oxolan-3-ylmethyl)urea is sourced from PubChem (CID 47198130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).