1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea

C11H19N5O2 — CID 123349045

IUPAC1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea
SMILESCCNc1cc(NC(=O)NC2CCOCC2)[nH]n1
InChIInChI=1S/C11H19N5O2/c1-2-12-9-7-10(16-15-9)14-11(17)13-8-3-5-18-6-4-8/h7-8H,2-6H2,1H3,(H4,12,13,14,15,16,17)
InChIKeyZHOWBFPQWBTBFG-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.14
Rot. Bonds4

About 1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea

1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea (PubChem CID 123349045) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea
PubChem CID123349045
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea
SMILESCCNc1cc(NC(=O)NC2CCOCC2)[nH]n1
InChIInChI=1S/C11H19N5O2/c1-2-12-9-7-10(16-15-9)14-11(17)13-8-3-5-18-6-4-8/h7-8H,2-6H2,1H3,(H4,12,13,14,15,16,17)
InChIKeyZHOWBFPQWBTBFG-UHFFFAOYSA-N
XLogP1.14
TPSA91.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267
1-(4-ethyl-5-methyl-1H-pyrazol-3-yl)-3-(oxan-4-yl)urea
CID 167991927
1-cyclopentyl-3-[3-(ethylamino)-1H-pyrazolo[4,3-c]pyridin-6-yl]urea
CID 123393870
4-(ethylamino)-3,5-difluoro-N-(oxan-4-yl)benzamide
CID 63184878
3,5-dichloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 82811187
1-cyclobutyl-3-(oxan-4-yl)urea
CID 115617670
1-(2-chloro-5-iodophenyl)-3-(oxepan-4-yl)urea
CID 136520804
2-(ethylamino)-6-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 113379136
ethane;ethanol;N-ethylethanamine;4-methyl-N-(oxan-4-yl)-1H-pyrazole-5-carboxamide
CID 143797168
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 71940469
5-(ethylamino)-N-(oxan-4-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62170112
2-[3-(ethylaminomethyl)phenoxy]-N-(oxan-4-yl)acetamide
CID 63098119

Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea (CID 123349045) is 1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea is CCNc1cc(NC(=O)NC2CCOCC2)[nH]n1.
What is the InChIKey of 1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea?
The InChIKey is ZHOWBFPQWBTBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-12-9-7-10(16-15-9)14-11(17)13-8-3-5-18-6-4-8/h7-8H,2-6H2,1H3,(H4,12,13,14,15,16,17).
What are the key properties of 1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea?
1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea has a molecular weight of 253.31 g/mol, XLogP of 1.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-1H-pyrazol-5-yl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 123349045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).