6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H23Cl2N5O2 — CID 68920034

IUPAC6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC1CCCN1NC(=O)c1cnn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12
InChIInChI=1S/C25H23Cl2N5O2/c1-34-15-18-5-4-12-31(18)30-25(33)21-14-29-32-23(16-8-10-17(26)11-9-16)20(13-28-24(21)32)19-6-2-3-7-22(19)27/h2-3,6-11,13-14,18H,4-5,12,15H2,1H3,(H,30,33)
InChIKeyKBJPJFZEIUFBAJ-UHFFFAOYSA-N
MW496.40 g/mol
LogP5.13
Rot. Bonds6

About 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 68920034) has the molecular formula C25H23Cl2N5O2 and a molecular weight of 496.40 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID68920034
Molecular FormulaC25H23Cl2N5O2
Molecular Weight496.40 g/mol
Exact Mass495.12
IUPAC Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOCC1CCCN1NC(=O)c1cnn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12
InChIInChI=1S/C25H23Cl2N5O2/c1-34-15-18-5-4-12-31(18)30-25(33)21-14-29-32-23(16-8-10-17(26)11-9-16)20(13-28-24(21)32)19-6-2-3-7-22(19)27/h2-3,6-11,13-14,18H,4-5,12,15H2,1H3,(H,30,33)
InChIKeyKBJPJFZEIUFBAJ-UHFFFAOYSA-N
XLogP5.13
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 68920034) is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COCC1CCCN1NC(=O)c1cnn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)cnc12.
What is the InChIKey of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KBJPJFZEIUFBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O2/c1-34-15-18-5-4-12-31(18)30-25(33)21-14-29-32-23(16-8-10-17(26)11-9-16)20(13-28-24(21)32)19-6-2-3-7-22(19)27/h2-3,6-11,13-14,18H,4-5,12,15H2,1H3,(H,30,33).
What are the key properties of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 496.40 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-[2-(methoxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 68920034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).