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

C17H14N4O3 — CID 42855325

IUPAC7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12
InChIInChI=1S/C17H14N4O3/c22-17(20-11-2-3-11)12-8-19-21-13(5-6-18-16(12)21)10-1-4-14-15(7-10)24-9-23-14/h1,4-8,11H,2-3,9H2,(H,20,22)
InChIKeyKUUIWDOZGUFSAH-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.02
Rot. Bonds3

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

7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 42855325) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is 7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID42855325
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NC1CC1)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12
InChIInChI=1S/C17H14N4O3/c22-17(20-11-2-3-11)12-8-19-21-13(5-6-18-16(12)21)10-1-4-14-15(7-10)24-9-23-14/h1,4-8,11H,2-3,9H2,(H,20,22)
InChIKeyKUUIWDOZGUFSAH-UHFFFAOYSA-N
XLogP2.02
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 42855325) is 7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NC1CC1)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12.
What is the InChIKey of 7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KUUIWDOZGUFSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c22-17(20-11-2-3-11)12-8-19-21-13(5-6-18-16(12)21)10-1-4-14-15(7-10)24-9-23-14/h1,4-8,11H,2-3,9H2,(H,20,22).
What are the key properties of 7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzodioxol-5-yl)-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42855325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).