N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide

C12H11N3O3 — CID 6470985

IUPACN-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C12H11N3O3/c1-15-9(4-5-13-15)12(16)14-8-2-3-10-11(6-8)18-7-17-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyPDIGLVOXXHQAHD-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.40
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide

N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 6470985) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
PubChem CID6470985
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C12H11N3O3/c1-15-9(4-5-13-15)12(16)14-8-2-3-10-11(6-8)18-7-17-10/h2-6H,7H2,1H3,(H,14,16)
InChIKeyPDIGLVOXXHQAHD-UHFFFAOYSA-N
XLogP1.40
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(Z)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 6089356
N-(1,3-benzodioxol-5-yl)-4-bromo-1-methylpyrazole-5-carboxamide
CID 19579445
N-(1,3-benzodioxol-5-yl)-3-methylimidazole-4-carboxamide
CID 110863230
3-(1,3-benzodioxol-5-ylcarbamoyl)-1-methylpyrazole-5-carboxylic acid
CID 4155928
N-(1,3-benzodioxol-5-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17439489
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(1,3-benzodioxol-5-yl)-5-ethoxy-1-methyl-4-oxopyridine-2-carboxamide
CID 30859004
N-[3-(1,3-benzodioxole-5-carbonylamino)phenyl]-2-ethylpyrazole-3-carboxamide
CID 4776537
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide (CID 6470985) is N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is PDIGLVOXXHQAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-15-9(4-5-13-15)12(16)14-8-2-3-10-11(6-8)18-7-17-10/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 6470985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).