2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H16N6O — CID 71912680

IUPAC2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NC1CCc2nc[nH]c2C1
InChIInChI=1S/C15H16N6O/c1-9-13(14-16-5-2-6-21(14)20-9)15(22)19-10-3-4-11-12(7-10)18-8-17-11/h2,5-6,8,10H,3-4,7H2,1H3,(H,17,18)(H,19,22)
InChIKeyOZWZQQOXOLIWFO-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.05
Rot. Bonds2

About 2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 71912680) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID71912680
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nn2cccnc2c1C(=O)NC1CCc2nc[nH]c2C1
InChIInChI=1S/C15H16N6O/c1-9-13(14-16-5-2-6-21(14)20-9)15(22)19-10-3-4-11-12(7-10)18-8-17-11/h2,5-6,8,10H,3-4,7H2,1H3,(H,17,18)(H,19,22)
InChIKeyOZWZQQOXOLIWFO-UHFFFAOYSA-N
XLogP1.05
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 71912680) is 2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nn2cccnc2c1C(=O)NC1CCc2nc[nH]c2C1.
What is the InChIKey of 2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OZWZQQOXOLIWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-9-13(14-16-5-2-6-21(14)20-9)15(22)19-10-3-4-11-12(7-10)18-8-17-11/h2,5-6,8,10H,3-4,7H2,1H3,(H,17,18)(H,19,22).
What are the key properties of 2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71912680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).