N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H13ClN4O — CID 2243054

IUPACN-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C15H13ClN4O/c1-19(10-11-6-3-2-4-7-11)15(21)13-12(16)14-17-8-5-9-20(14)18-13/h2-9H,10H2,1H3
InChIKeyDZSXURXKULICAQ-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.65
Rot. Bonds3

About N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2243054) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2243054
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC NameN-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1nn2cccnc2c1Cl
InChIInChI=1S/C15H13ClN4O/c1-19(10-11-6-3-2-4-7-11)15(21)13-12(16)14-17-8-5-9-20(14)18-13/h2-9H,10H2,1H3
InChIKeyDZSXURXKULICAQ-UHFFFAOYSA-N
XLogP2.65
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2243054) is N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1nn2cccnc2c1Cl.
What is the InChIKey of N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DZSXURXKULICAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-19(10-11-6-3-2-4-7-11)15(21)13-12(16)14-17-8-5-9-20(14)18-13/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 300.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2243054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).