2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide

C19H22N4O2 — CID 162653907

IUPAC2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(C)C)cc1
InChIInChI=1S/C19H22N4O2/c1-12-10-13(2)23-19(20-12)16(11-17(24)22(3)4)18(21-23)14-6-8-15(25-5)9-7-14/h6-10H,11H2,1-5H3
InChIKeyJNMQHLAZCDUBIB-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide

2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide (PubChem CID 162653907) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide
PubChem CID162653907
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(C)C)cc1
InChIInChI=1S/C19H22N4O2/c1-12-10-13(2)23-19(20-12)16(11-17(24)22(3)4)18(21-23)14-6-8-15(25-5)9-7-14/h6-10H,11H2,1-5H3
InChIKeyJNMQHLAZCDUBIB-UHFFFAOYSA-N
XLogP2.65
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-(2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 24895172
Bms-561388
CID 9908904
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 9884878
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
N,N-Diethyl-(2-(4-(2-(18F)fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-A)pyrimidine-3-YL)acetamide
CID 23582365
2-(2-(4-(3-fluoropropoxy)phenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 24895170
2-{2-[4-(Cyclobutyloxy)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-N,N-diethylacetamide
CID 70495740
2-(5,7-diethyl-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625545
2-(5,7-diethyl-2-(4-(2-fluoroethoxy)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625548
N-(4-methoxyphenyl)-3-{2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}propanamide
CID 9551399
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone
CID 1046563

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide (CID 162653907) is 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide is COc1ccc(-c2nn3c(C)cc(C)nc3c2CC(=O)N(C)C)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide?
The InChIKey is JNMQHLAZCDUBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-10-13(2)23-19(20-12)16(11-17(24)22(3)4)18(21-23)14-6-8-15(25-5)9-7-14/h6-10H,11H2,1-5H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide?
2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide has a molecular weight of 338.41 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 162653907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).