N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide

C23H21ClN4O — CID 23603853

IUPACN-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H21ClN4O/c1-14-20(13-21(29)26-19-11-7-10-18(24)12-19)16(3)28-23(25-14)22(15(2)27-28)17-8-5-4-6-9-17/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeyDOAOUVHWBAILPN-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.16
Rot. Bonds4

About N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide

N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide (PubChem CID 23603853) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
PubChem CID23603853
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC NameN-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide
SMILESCc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C23H21ClN4O/c1-14-20(13-21(29)26-19-11-7-10-18(24)12-19)16(3)28-23(25-14)22(15(2)27-28)17-8-5-4-6-9-17/h4-12H,13H2,1-3H3,(H,26,29)
InChIKeyDOAOUVHWBAILPN-UHFFFAOYSA-N
XLogP5.16
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide (CID 23603853) is N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide is Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
The InChIKey is DOAOUVHWBAILPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-14-20(13-21(29)26-19-11-7-10-18(24)12-19)16(3)28-23(25-14)22(15(2)27-28)17-8-5-4-6-9-17/h4-12H,13H2,1-3H3,(H,26,29).
What are the key properties of N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide?
N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide has a molecular weight of 404.90 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2,5,7-trimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)acetamide is sourced from PubChem (CID 23603853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).