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

C11H18N4O2 — CID 108813280

IUPAC1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCc1cc(NC(=O)NCC2CCCO2)nn1C
InChIInChI=1S/C11H18N4O2/c1-8-6-10(14-15(8)2)13-11(16)12-7-9-4-3-5-17-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyVZSCHEXAMDNUAS-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.03
Rot. Bonds3

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

1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea (PubChem CID 108813280) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
PubChem CID108813280
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea
SMILESCc1cc(NC(=O)NCC2CCCO2)nn1C
InChIInChI=1S/C11H18N4O2/c1-8-6-10(14-15(8)2)13-11(16)12-7-9-4-3-5-17-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16)
InChIKeyVZSCHEXAMDNUAS-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,5-dimethylpyrazol-3-yl)oxolane-2-carboxamide
CID 56725172
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 92750570
1-(oxolan-2-ylmethyl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812547
1-(5-chloro-2-methylphenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 51427378
1-(2,4-dimethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 6467733
1-(1-methyl-3-propan-2-ylpyrazol-4-yl)-3-(oxolan-2-ylmethyl)urea
CID 146091310
1-(4-chloro-2-methoxy-5-methylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 47196268
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536
N-(1,5-dimethylpyrazol-3-yl)-1-(oxan-2-yl)methanesulfonamide
CID 154840984
1-(3-methyl-2-pyridinyl)-3-(oxolan-2-ylmethyl)urea
CID 47237171
N-[[(2S)-oxolan-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 30479226
1-[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 72922007

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea (CID 108813280) is 1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea is Cc1cc(NC(=O)NCC2CCCO2)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea?
The InChIKey is VZSCHEXAMDNUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-6-10(14-15(8)2)13-11(16)12-7-9-4-3-5-17-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea?
1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea has a molecular weight of 238.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-3-(oxolan-2-ylmethyl)urea is sourced from PubChem (CID 108813280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).