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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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377305
2-[(4-Methyl-1-piperazinyl)carbonyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1015601
(5,7-Diphenylpyrazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperazin-1-yl)methanone
CID 1050346
[5-(4-Chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 1113965
3-(3-chlorophenyl)-N-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 44524414
3-chloro-2-(hexahydropyrrolo[1,2-a]pyrazin-2(1H)-ylcarbonyl)-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 3273387
3-chloro-5-phenyl-N-propyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1733314
4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 165415043
4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377304
1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
CID 154312088
3-chloro-N-(3-pyridinylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 2242438
1-[2-(4-Chlorophenyl)-7-Methylpyrazolo[1,5-A]Pyrimidin-6-Yl]Ethan-1-One
CID 677918

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).