N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide

C25H34N4O2 — CID 71717048

IUPACN,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C(C)C)cc(C(C)C)nc12
InChIInChI=1S/C25H34N4O2/c1-8-28(9-2)23(30)14-20-24(18-10-12-19(31-7)13-11-18)27-29-22(17(5)6)15-21(16(3)4)26-25(20)29/h10-13,15-17H,8-9,14H2,1-7H3
InChIKeyRSGPEJMEBYSPAK-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.06
Rot. Bonds8

About N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide

N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide (PubChem CID 71717048) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
PubChem CID71717048
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C(C)C)cc(C(C)C)nc12
InChIInChI=1S/C25H34N4O2/c1-8-28(9-2)23(30)14-20-24(18-10-12-19(31-7)13-11-18)27-29-22(17(5)6)15-21(16(3)4)26-25(20)29/h10-13,15-17H,8-9,14H2,1-7H3
InChIKeyRSGPEJMEBYSPAK-UHFFFAOYSA-N
XLogP5.06
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide (CID 71717048) is N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide is CCN(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C(C)C)cc(C(C)C)nc12.
What is the InChIKey of N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The InChIKey is RSGPEJMEBYSPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-8-28(9-2)23(30)14-20-24(18-10-12-19(31-7)13-11-18)27-29-22(17(5)6)15-21(16(3)4)26-25(20)29/h10-13,15-17H,8-9,14H2,1-7H3.
What are the key properties of N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 5.06, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 71717048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).