1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea

C19H22N4O3 — CID 121139470

IUPAC1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N4O3/c24-19(21-14-5-6-17-18(9-14)26-11-25-17)20-7-8-23-16(13-3-4-13)10-15(22-23)12-1-2-12/h5-6,9-10,12-13H,1-4,7-8,11H2,(H2,20,21,24)
InChIKeyADPUWWUJIXESND-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.19
Rot. Bonds6

About 1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea

1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea (PubChem CID 121139470) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
PubChem CID121139470
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(C2CC2)cc1C1CC1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N4O3/c24-19(21-14-5-6-17-18(9-14)26-11-25-17)20-7-8-23-16(13-3-4-13)10-15(22-23)12-1-2-12/h5-6,9-10,12-13H,1-4,7-8,11H2,(H2,20,21,24)
InChIKeyADPUWWUJIXESND-UHFFFAOYSA-N
XLogP3.19
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[2-(3-cyclopropyl-5-oxo-4-phenyl-1,2,4-triazol-1-yl)ethyl]urea
CID 71793456
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]prop-2-enamide
CID 121139281
1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea
CID 6470232
1-(1,3-benzodioxol-5-yl)-3-propylurea
CID 58748931
1-(1,3-benzodioxol-5-yl)-3-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 23609356
1-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-3-phenylurea
CID 72718704
1-(1,3-benzodioxol-5-yl)-3-(cyclopropylmethyl)urea
CID 47152145
1-(1,3-benzodioxol-5-yl)-3-(3-oxobutyl)urea
CID 108895209
N-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide
CID 71807743
1-(1,3-benzodioxol-5-yl)-3-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]urea
CID 72881182
1-[2-(5-cyclopropyl-3-pyrazin-2-ylpyrazol-1-yl)ethyl]-3-(3,4-dimethylphenyl)urea
CID 121019969
1-(1,3-benzodioxol-5-yl)-3-hexylurea
CID 4107112

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea (CID 121139470) is 1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea is O=C(NCCn1nc(C2CC2)cc1C1CC1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea?
The InChIKey is ADPUWWUJIXESND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-19(21-14-5-6-17-18(9-14)26-11-25-17)20-7-8-23-16(13-3-4-13)10-15(22-23)12-1-2-12/h5-6,9-10,12-13H,1-4,7-8,11H2,(H2,20,21,24).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea has a molecular weight of 354.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 121139470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).