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

C26H25N5O2 — CID 136928070

IUPAC7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21
InChIInChI=1S/C26H25N5O2/c1-28-21-10-6-5-9-20(21)22-15-16-29-26-23(25(27)32)24(30-31(22)26)17-11-13-19(14-12-17)33-18-7-3-2-4-8-18/h2-14,22,28-29H,15-16H2,1H3,(H2,27,32)
InChIKeyLCPRVNCUEZLCII-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.89
Rot. Bonds6

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

7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 136928070) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID136928070
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21
InChIInChI=1S/C26H25N5O2/c1-28-21-10-6-5-9-20(21)22-15-16-29-26-23(25(27)32)24(30-31(22)26)17-11-13-19(14-12-17)33-18-7-3-2-4-8-18/h2-14,22,28-29H,15-16H2,1H3,(H2,27,32)
InChIKeyLCPRVNCUEZLCII-UHFFFAOYSA-N
XLogP4.89
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 136928070) is 7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21.
What is the InChIKey of 7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LCPRVNCUEZLCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c1-28-21-10-6-5-9-20(21)22-15-16-29-26-23(25(27)32)24(30-31(22)26)17-11-13-19(14-12-17)33-18-7-3-2-4-8-18/h2-14,22,28-29H,15-16H2,1H3,(H2,27,32).
What are the key properties of 7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(methylamino)phenyl]-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 136928070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).