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

C14H10N4O3 — CID 1251504

IUPACN-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12
InChIInChI=1S/C14H10N4O3/c19-14(10-7-16-18-5-1-4-15-13(10)18)17-9-2-3-11-12(6-9)21-8-20-11/h1-7H,8H2,(H,17,19)
InChIKeyGBHYUTNSBXHCPK-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.71
Rot. Bonds2

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

N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1251504) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1251504
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC NameN-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12
InChIInChI=1S/C14H10N4O3/c19-14(10-7-16-18-5-1-4-15-13(10)18)17-9-2-3-11-12(6-9)21-8-20-11/h1-7H,8H2,(H,17,19)
InChIKeyGBHYUTNSBXHCPK-UHFFFAOYSA-N
XLogP1.71
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.71
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)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1251504) is N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GBHYUTNSBXHCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14(10-7-16-18-5-1-4-15-13(10)18)17-9-2-3-11-12(6-9)21-8-20-11/h1-7H,8H2,(H,17,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 1.71, 2 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)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1251504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).