N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide

C15H17ClN4O — CID 46341564

IUPACN-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCCN2CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H17ClN4O/c1-11-9-15-19(7-4-8-20(15)18-11)10-14(21)17-13-6-3-2-5-12(13)16/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,21)
InChIKeyUKDPMFIRZCZUQP-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.69
Rot. Bonds3

About N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide

N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide (PubChem CID 46341564) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
PubChem CID46341564
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide
SMILESCc1cc2n(n1)CCCN2CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H17ClN4O/c1-11-9-15-19(7-4-8-20(15)18-11)10-14(21)17-13-6-3-2-5-12(13)16/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,21)
InChIKeyUKDPMFIRZCZUQP-UHFFFAOYSA-N
XLogP2.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide (CID 46341564) is N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide is Cc1cc2n(n1)CCCN2CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
The InChIKey is UKDPMFIRZCZUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-11-9-15-19(7-4-8-20(15)18-11)10-14(21)17-13-6-3-2-5-12(13)16/h2-3,5-6,9H,4,7-8,10H2,1H3,(H,17,21).
What are the key properties of N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide?
N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide has a molecular weight of 304.78 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 46341564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).