4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide

C14H16N4O3 — CID 62081233

IUPAC4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1N
InChIInChI=1S/C14H16N4O3/c1-8-12(15)13(17-16-8)14(19)18(2)6-9-3-4-10-11(5-9)21-7-20-10/h3-5H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyKYYRZIFDOSHJTD-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.30
Rot. Bonds3

About 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide

4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 62081233) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID62081233
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1N
InChIInChI=1S/C14H16N4O3/c1-8-12(15)13(17-16-8)14(19)18(2)6-9-3-4-10-11(5-9)21-7-20-10/h3-5H,6-7,15H2,1-2H3,(H,16,17)
InChIKeyKYYRZIFDOSHJTD-UHFFFAOYSA-N
XLogP1.30
TPSA93.47 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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,5-dimethyl-N-[(4-propan-2-ylphenyl)methyl]-1H-pyrazole-3-carboxamide
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N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
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N-(1,3-benzodioxol-5-ylmethyl)-N,6-dimethylpyridine-2-carboxamide
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N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
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N-(1,3-benzodioxol-5-ylmethyl)-1-tert-butyl-3-cyclopropyl-N-methylpyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide (CID 62081233) is 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1N.
What is the InChIKey of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is KYYRZIFDOSHJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-8-12(15)13(17-16-8)14(19)18(2)6-9-3-4-10-11(5-9)21-7-20-10/h3-5H,6-7,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide?
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).