N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C21H16N4O3 — CID 1103642

IUPACN-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccc4c(c3)OCO4)nn12
InChIInChI=1S/C21H16N4O3/c1-13-9-16(14-5-3-2-4-6-14)23-20-11-17(24-25(13)20)21(26)22-15-7-8-18-19(10-15)28-12-27-18/h2-11H,12H2,1H3,(H,22,26)
InChIKeyULVDPKIEXUBRBH-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.69
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1103642) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1103642
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccc4c(c3)OCO4)nn12
InChIInChI=1S/C21H16N4O3/c1-13-9-16(14-5-3-2-4-6-14)23-20-11-17(24-25(13)20)21(26)22-15-7-8-18-19(10-15)28-12-27-18/h2-11H,12H2,1H3,(H,22,26)
InChIKeyULVDPKIEXUBRBH-UHFFFAOYSA-N
XLogP3.69
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1103642) is N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccc4c(c3)OCO4)nn12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ULVDPKIEXUBRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c1-13-9-16(14-5-3-2-4-6-14)23-20-11-17(24-25(13)20)21(26)22-15-7-8-18-19(10-15)28-12-27-18/h2-11H,12H2,1H3,(H,22,26).
What are the key properties of N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1103642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).