7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H16N4O5 — CID 42873313

IUPAC7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12
InChIInChI=1S/C22H16N4O5/c27-22(24-9-13-1-3-17-19(7-13)30-11-28-17)15-10-25-26-16(5-6-23-21(15)26)14-2-4-18-20(8-14)31-12-29-18/h1-8,10H,9,11-12H2,(H,24,27)
InChIKeyKYSIDEZJCJPHSK-UHFFFAOYSA-N
MW416.39 g/mol
LogP2.78
Rot. Bonds4

About 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 42873313) has the molecular formula C22H16N4O5 and a molecular weight of 416.39 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID42873313
Molecular FormulaC22H16N4O5
Molecular Weight416.39 g/mol
Exact Mass416.11
IUPAC Name7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12
InChIInChI=1S/C22H16N4O5/c27-22(24-9-13-1-3-17-19(7-13)30-11-28-17)15-10-25-26-16(5-6-23-21(15)26)14-2-4-18-20(8-14)31-12-29-18/h1-8,10H,9,11-12H2,(H,24,27)
InChIKeyKYSIDEZJCJPHSK-UHFFFAOYSA-N
XLogP2.78
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide 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-ylmethyl)-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39004143
7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855325
N-(1,3-benzodioxol-5-ylmethyl)-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919369
ethyl 7-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 50743685
N-[2-(1,3-benzodioxol-5-yl)ethyl]-7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39945191
7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 30849672
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55852521
N-(1,3-benzodioxol-5-ylmethyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-carboxamide
CID 17438402
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55664001
5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 110336840
N-[(3-carbamoylphenyl)methyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 60506856

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 42873313) is 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KYSIDEZJCJPHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O5/c27-22(24-9-13-1-3-17-19(7-13)30-11-28-17)15-10-25-26-16(5-6-23-21(15)26)14-2-4-18-20(8-14)31-12-29-18/h1-8,10H,9,11-12H2,(H,24,27).
What are the key properties of 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 416.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42873313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).