N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide

C20H21Cl2N5O2 — CID 91167095

IUPACN-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)N2C(C)=CC(c3ccc(Cl)c(Cl)c3)n3nccc32)C1
InChIInChI=1S/C20H21Cl2N5O2/c1-12-9-18(14-3-4-16(21)17(22)10-14)27-19(5-7-23-27)26(12)20(29)25-8-6-15(11-25)24-13(2)28/h3-5,7,9-10,15,18H,6,8,11H2,1-2H3,(H,24,28)
InChIKeyWFNRIFGXGFULSC-UHFFFAOYSA-N
MW434.33 g/mol
LogP3.83
Rot. Bonds2

About N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide

N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide (PubChem CID 91167095) has the molecular formula C20H21Cl2N5O2 and a molecular weight of 434.33 g/mol. Its IUPAC name is N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide
PubChem CID91167095
Molecular FormulaC20H21Cl2N5O2
Molecular Weight434.33 g/mol
Exact Mass433.11
IUPAC NameN-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)N2C(C)=CC(c3ccc(Cl)c(Cl)c3)n3nccc32)C1
InChIInChI=1S/C20H21Cl2N5O2/c1-12-9-18(14-3-4-16(21)17(22)10-14)27-19(5-7-23-27)26(12)20(29)25-8-6-15(11-25)24-13(2)28/h3-5,7,9-10,15,18H,6,8,11H2,1-2H3,(H,24,28)
InChIKeyWFNRIFGXGFULSC-UHFFFAOYSA-N
XLogP3.83
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.33
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide (CID 91167095) is N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)N2C(C)=CC(c3ccc(Cl)c(Cl)c3)n3nccc32)C1.
What is the InChIKey of N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide?
The InChIKey is WFNRIFGXGFULSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O2/c1-12-9-18(14-3-4-16(21)17(22)10-14)27-19(5-7-23-27)26(12)20(29)25-8-6-15(11-25)24-13(2)28/h3-5,7,9-10,15,18H,6,8,11H2,1-2H3,(H,24,28).
What are the key properties of N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide?
N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide has a molecular weight of 434.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[7-(3,4-dichlorophenyl)-5-methyl-7H-pyrazolo[1,5-a]pyrimidine-4-carbonyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91167095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).