1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea

C18H17N5O3 — CID 75443227

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(NCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1cccnc1
InChIInChI=1S/C18H17N5O3/c24-18(20-10-13-3-4-15-16(8-13)26-12-25-15)22-17-5-7-21-23(17)11-14-2-1-6-19-9-14/h1-9H,10-12H2,(H2,20,22,24)
InChIKeyDLUFCKFZEPERCC-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.38
Rot. Bonds5

About 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea

1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea (PubChem CID 75443227) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
PubChem CID75443227
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea
SMILESO=C(NCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1cccnc1
InChIInChI=1S/C18H17N5O3/c24-18(20-10-13-3-4-15-16(8-13)26-12-25-15)22-17-5-7-21-23(17)11-14-2-1-6-19-9-14/h1-9H,10-12H2,(H2,20,22,24)
InChIKeyDLUFCKFZEPERCC-UHFFFAOYSA-N
XLogP2.38
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
1-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 113198842
1-(2-methylpyrazol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 108813626
N-(1,3-benzodioxol-5-ylmethyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109234571
3-(1,3-benzodioxol-5-ylmethyl)pyridine
CID 173231937
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyrazol-1-ylphenyl)urea
CID 51116793
(Z)-N-(1,3-benzodioxol-5-ylmethyl)-2-cyano-3-(pyridin-3-ylmethylamino)prop-2-enamide
CID 108841409
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-pyridin-3-ylpropanamide
CID 18117902
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
4-(1,3-benzodioxol-5-ylmethyl)-N-(pyridin-3-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 42848654
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-iodophenyl)urea
CID 108868905
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46056159

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea (CID 75443227) is 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea is O=C(NCc1ccc2c(c1)OCO2)Nc1ccnn1Cc1cccnc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
The InChIKey is DLUFCKFZEPERCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-18(20-10-13-3-4-15-16(8-13)26-12-25-15)22-17-5-7-21-23(17)11-14-2-1-6-19-9-14/h1-9H,10-12H2,(H2,20,22,24).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea?
1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea has a molecular weight of 351.37 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-3-ylmethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 75443227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).