6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

C29H31N5O3 — CID 136983680

IUPAC6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)CCOc1cccc(C2CNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3C2)c1
InChIInChI=1S/C29H31N5O3/c1-33(2)15-16-36-25-10-6-7-21(17-25)22-18-31-29-26(28(30)35)27(32-34(29)19-22)20-11-13-24(14-12-20)37-23-8-4-3-5-9-23/h3-14,17,22,31H,15-16,18-19H2,1-2H3,(H2,30,35)
InChIKeyJIHFBKYCCUCHQF-UHFFFAOYSA-N
MW497.60 g/mol
LogP4.59
Rot. Bonds9

About 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136983680) has the molecular formula C29H31N5O3 and a molecular weight of 497.60 g/mol. Its IUPAC name is 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136983680
Molecular FormulaC29H31N5O3
Molecular Weight497.60 g/mol
Exact Mass497.24
IUPAC Name6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C)CCOc1cccc(C2CNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3C2)c1
InChIInChI=1S/C29H31N5O3/c1-33(2)15-16-36-25-10-6-7-21(17-25)22-18-31-29-26(28(30)35)27(32-34(29)19-22)20-11-13-24(14-12-20)37-23-8-4-3-5-9-23/h3-14,17,22,31H,15-16,18-19H2,1-2H3,(H2,30,35)
InChIKeyJIHFBKYCCUCHQF-UHFFFAOYSA-N
XLogP4.59
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136983680) is 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C)CCOc1cccc(C2CNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3C2)c1.
What is the InChIKey of 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JIHFBKYCCUCHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O3/c1-33(2)15-16-36-25-10-6-7-21(17-25)22-18-31-29-26(28(30)35)27(32-34(29)19-22)20-11-13-24(14-12-20)37-23-8-4-3-5-9-23/h3-14,17,22,31H,15-16,18-19H2,1-2H3,(H2,30,35).
What are the key properties of 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(dimethylamino)ethoxy]phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136983680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).