N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C24H28ClN5O — CID 60621717

IUPACN-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCC(CC)(CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN5O/c1-5-24(6-2,19-7-9-20(25)10-8-19)15-27-22(31)12-11-21-16(3)29-23-18(13-26)14-28-30(23)17(21)4/h7-10,14H,5-6,11-12,15H2,1-4H3,(H,27,31)
InChIKeyUEGCIHKUCXVULA-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.68
Rot. Bonds8

About N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 60621717) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID60621717
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC NameN-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCCC(CC)(CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(Cl)cc1
InChIInChI=1S/C24H28ClN5O/c1-5-24(6-2,19-7-9-20(25)10-8-19)15-27-22(31)12-11-21-16(3)29-23-18(13-26)14-28-30(23)17(21)4/h7-10,14H,5-6,11-12,15H2,1-4H3,(H,27,31)
InChIKeyUEGCIHKUCXVULA-UHFFFAOYSA-N
XLogP4.68
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 60621717) is N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is CCC(CC)(CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is UEGCIHKUCXVULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-5-24(6-2,19-7-9-20(25)10-8-19)15-27-22(31)12-11-21-16(3)29-23-18(13-26)14-28-30(23)17(21)4/h7-10,14H,5-6,11-12,15H2,1-4H3,(H,27,31).
What are the key properties of N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 437.98 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-ethylbutyl]-3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 60621717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).