N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide

C14H15N3O3 — CID 19288409

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H15N3O3/c1-9-11(7-17(2)16-9)6-15-14(18)10-3-4-12-13(5-10)20-8-19-12/h3-5,7H,6,8H2,1-2H3,(H,15,18)
InChIKeyDVMDPCXITUBABB-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.39
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 19288409) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID19288409
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H15N3O3/c1-9-11(7-17(2)16-9)6-15-14(18)10-3-4-12-13(5-10)20-8-19-12/h3-5,7H,6,8H2,1-2H3,(H,15,18)
InChIKeyDVMDPCXITUBABB-UHFFFAOYSA-N
XLogP1.39
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 19288409) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide is Cc1nn(C)cc1CNC(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is DVMDPCXITUBABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-11(7-17(2)16-9)6-15-14(18)10-3-4-12-13(5-10)20-8-19-12/h3-5,7H,6,8H2,1-2H3,(H,15,18).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 19288409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).