N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H28N4O3 — CID 42873234

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cnn3c(-c4ccc(C)c(C)c4)ccnc23)cc1OC
InChIInChI=1S/C26H28N4O3/c1-17-6-8-20(14-18(17)2)22-10-12-27-25-21(16-28-30(22)25)26(31)29(3)13-11-19-7-9-23(32-4)24(15-19)33-5/h6-10,12,14-16H,11,13H2,1-5H3
InChIKeyPBGHKEQTDMUTTM-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.35
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 42873234) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID42873234
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cnn3c(-c4ccc(C)c(C)c4)ccnc23)cc1OC
InChIInChI=1S/C26H28N4O3/c1-17-6-8-20(14-18(17)2)22-10-12-27-25-21(16-28-30(22)25)26(31)29(3)13-11-19-7-9-23(32-4)24(15-19)33-5/h6-10,12,14-16H,11,13H2,1-5H3
InChIKeyPBGHKEQTDMUTTM-UHFFFAOYSA-N
XLogP4.35
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
7-(3,4-dimethoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855278
N-cyclohexyl-7-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42855267
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 42361099
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N,5-dimethylpyrazole-4-carboxamide
CID 42725692
7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109667
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)-N,2-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785523
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-4-(1H-pyrazol-5-yl)benzamide
CID 72928420
4-(4-cyanophenyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-methyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 59410492
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440606
7-(3-methoxyphenyl)-N,N-dipropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46050176
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylquinoline-4-carboxamide
CID 26826456

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 42873234) is N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(CCN(C)C(=O)c2cnn3c(-c4ccc(C)c(C)c4)ccnc23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PBGHKEQTDMUTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-17-6-8-20(14-18(17)2)22-10-12-27-25-21(16-28-30(22)25)26(31)29(3)13-11-19-7-9-23(32-4)24(15-19)33-5/h6-10,12,14-16H,11,13H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(3,4-dimethylphenyl)-N-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 42873234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).