1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea

C14H16N4O3 — CID 970527

IUPAC1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2ccc3c(c2)OCO3)nn1C
InChIInChI=1S/C14H16N4O3/c1-9-5-11(17-18(9)2)7-15-14(19)16-10-3-4-12-13(6-10)21-8-20-12/h3-6H,7-8H2,1-2H3,(H2,15,16,19)
InChIKeyLNKUKQLDXIOZRZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.78
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea

1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea (PubChem CID 970527) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea
PubChem CID970527
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea
SMILESCc1cc(CNC(=O)Nc2ccc3c(c2)OCO3)nn1C
InChIInChI=1S/C14H16N4O3/c1-9-5-11(17-18(9)2)7-15-14(19)16-10-3-4-12-13(6-10)21-8-20-12/h3-6H,7-8H2,1-2H3,(H2,15,16,19)
InChIKeyLNKUKQLDXIOZRZ-UHFFFAOYSA-N
XLogP1.78
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-1,3-benzodioxol-5-yl-N'-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]urea
CID 2955517
N-1,3-benzodioxol-5-yl-N'-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16193421
N-1,3-benzodioxol-5-yl-N'-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 16193459
N-(1,3-benzodioxol-5-yl)-3-pyrazol-1-ylpropanamide
CID 24790928
N-(2H-1,3-Benzodioxol-5-YL)-3-(3,5-dimethyl-1H-pyrazol-1-YL)butanamide
CID 24792833
N-(1,3-benzodioxol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711707
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 5301172
N-(1,3-benzodioxol-5-yl)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide
CID 813472
N-1,3-benzodioxol-5-yl-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanamide
CID 2981348
N-(2H-1,3-Benzodioxol-5-YL)-3-(3-methyl-1H-pyrazol-1-YL)propanamide
CID 24790951
N-(3,4-Dimethoxyphenyl)-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-A]pyrimidine-4-carboxamide
CID 16024358
N-1,3-benzodioxol-5-yl-N'-[(1-methyl-1H-pyrazol-4-yl)methyl]urea
CID 978143

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea (CID 970527) is 1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea is Cc1cc(CNC(=O)Nc2ccc3c(c2)OCO3)nn1C.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea?
The InChIKey is LNKUKQLDXIOZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-5-11(17-18(9)2)7-15-14(19)16-10-3-4-12-13(6-10)21-8-20-12/h3-6H,7-8H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea?
1-(1,3-benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea has a molecular weight of 288.31 g/mol, XLogP of 1.78, 3 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-[(1,5-dimethylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 970527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).