3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

C18H19N5O3 — CID 19515569

IUPAC3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1
InChIInChI=1S/C18H19N5O3/c1-3-23-13(6-7-19-23)10-22(2)18(24)15-9-14(20-21-15)12-4-5-16-17(8-12)26-11-25-16/h4-9H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyPLABUTXFQIDAOF-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.29
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide

3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 19515569) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID19515569
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCn1nccc1CN(C)C(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1
InChIInChI=1S/C18H19N5O3/c1-3-23-13(6-7-19-23)10-22(2)18(24)15-9-14(20-21-15)12-4-5-16-17(8-12)26-11-25-16/h4-9H,3,10-11H2,1-2H3,(H,20,21)
InChIKeyPLABUTXFQIDAOF-UHFFFAOYSA-N
XLogP2.29
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 19513302
3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbohydrazide
CID 853504
3-(1,3-benzodioxol-5-yl)-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19513463
3-(1,3-benzodioxol-5-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-[(3-methylphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 51586592
3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515649
3-(1,3-benzodioxol-5-yl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 71795159
N-[(2-ethylpyrazol-3-yl)methyl]-N-methylthiophene-2-carboxamide
CID 35520802
N-[(2-ethylpyrazol-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 19278025
3-(1,3-benzodioxol-5-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 19513466
N-[(1-ethylpyrazol-4-yl)methyl]-N-methyl-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19515538
4-N-[(2-ethylpyrazol-3-yl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 122143622
N-[(2-ethylpyrazol-3-yl)methyl]-2-methoxy-N-methylbenzamide
CID 19454265

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide (CID 19515569) is 3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is CCn1nccc1CN(C)C(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is PLABUTXFQIDAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-3-23-13(6-7-19-23)10-22(2)18(24)15-9-14(20-21-15)12-4-5-16-17(8-12)26-11-25-16/h4-9H,3,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide?
3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19515569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).