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

C23H27N5O4 — CID 144736035

IUPAC7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1ccccc1C1CCNc2c(C(N)=O)c(-c3cc(OC)c(OC)c(OC)c3)nn21
InChIInChI=1S/C23H27N5O4/c1-25-15-8-6-5-7-14(15)16-9-10-26-23-19(22(24)29)20(27-28(16)23)13-11-17(30-2)21(32-4)18(12-13)31-3/h5-8,11-12,16,25-26H,9-10H2,1-4H3,(H2,24,29)
InChIKeyAECFHWSVJJZZJI-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.12
Rot. Bonds7

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

7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 144736035) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID144736035
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC Name7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1ccccc1C1CCNc2c(C(N)=O)c(-c3cc(OC)c(OC)c(OC)c3)nn21
InChIInChI=1S/C23H27N5O4/c1-25-15-8-6-5-7-14(15)16-9-10-26-23-19(22(24)29)20(27-28(16)23)13-11-17(30-2)21(32-4)18(12-13)31-3/h5-8,11-12,16,25-26H,9-10H2,1-4H3,(H2,24,29)
InChIKeyAECFHWSVJJZZJI-UHFFFAOYSA-N
XLogP3.12
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 144736035) is 7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1ccccc1C1CCNc2c(C(N)=O)c(-c3cc(OC)c(OC)c(OC)c3)nn21.
What is the InChIKey of 7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AECFHWSVJJZZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-25-15-8-6-5-7-14(15)16-9-10-26-23-19(22(24)29)20(27-28(16)23)13-11-17(30-2)21(32-4)18(12-13)31-3/h5-8,11-12,16,25-26H,9-10H2,1-4H3,(H2,24,29).
What are the key properties of 7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(methylamino)phenyl]-2-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 144736035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).