7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H21N5O — CID 46167866

IUPAC7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NCCc4ccccn4)cnn23)cc1C
InChIInChI=1S/C22H21N5O/c1-15-6-7-17(13-16(15)2)20-9-12-24-21-19(14-26-27(20)21)22(28)25-11-8-18-5-3-4-10-23-18/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,25,28)
InChIKeyZLIXGCAYXSXTPD-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.38
Rot. Bonds5

About 7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46167866) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46167866
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1ccc(-c2ccnc3c(C(=O)NCCc4ccccn4)cnn23)cc1C
InChIInChI=1S/C22H21N5O/c1-15-6-7-17(13-16(15)2)20-9-12-24-21-19(14-26-27(20)21)22(28)25-11-8-18-5-3-4-10-23-18/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,25,28)
InChIKeyZLIXGCAYXSXTPD-UHFFFAOYSA-N
XLogP3.38
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3,4-dimethylphenyl)-N-(2-phenylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109667
7-(3,4-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 30849672
7-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 24716741
N-cyclopentyl-7-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109662
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46074679
7-(4-methylphenyl)-N-(2-sulfanylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440444
7-(3,4-dimethylphenyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 53109671
N-[3-(2-methylimidazol-1-yl)propyl]-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55958474
N-(2-hydroxypropyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 78897388
methyl 2-[[7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]acetate
CID 19440492
7-(4-methylphenyl)-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19327901
7-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 42803837

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46167866) is 7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1ccc(-c2ccnc3c(C(=O)NCCc4ccccn4)cnn23)cc1C.
What is the InChIKey of 7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZLIXGCAYXSXTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-15-6-7-17(13-16(15)2)20-9-12-24-21-19(14-26-27(20)21)22(28)25-11-8-18-5-3-4-10-23-18/h3-7,9-10,12-14H,8,11H2,1-2H3,(H,25,28).
What are the key properties of 7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46167866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).