N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide

C27H29FN4O2 — CID 118731295

IUPACN,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3F)cc2)nn2c(C)cc(C)nc12
InChIInChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-23-26(30-32-19(4)15-18(3)29-27(23)32)20-11-13-22(14-12-20)34-17-21-9-7-8-10-24(21)28/h7-15H,5-6,16-17H2,1-4H3
InChIKeyJLPMYONMQRJJSS-UHFFFAOYSA-N
MW460.55 g/mol
LogP5.14
Rot. Bonds8

About N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide

N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide (PubChem CID 118731295) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
PubChem CID118731295
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC NameN,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3F)cc2)nn2c(C)cc(C)nc12
InChIInChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-23-26(30-32-19(4)15-18(3)29-27(23)32)20-11-13-22(14-12-20)34-17-21-9-7-8-10-24(21)28/h7-15H,5-6,16-17H2,1-4H3
InChIKeyJLPMYONMQRJJSS-UHFFFAOYSA-N
XLogP5.14
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 55.14
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
N,N-Diethyl-(2-(4-(2-(18F)fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-A)pyrimidine-3-YL)acetamide
CID 23582365
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one
CID 73441661
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
(E)-7-(4-(dimethylamino) but-2-enoyl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[5',1':2,3]imidazo[4,5-c]pyridine-3-carboxamide
CID 117676961
[5-(4-Methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl](morpholin-4-yl)methanone
CID 1046563
4-(2-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103238
4-(2-{4-[2-(Dimethylamino)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103245

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide (CID 118731295) is N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide is CCN(CC)C(=O)Cc1c(-c2ccc(OCc3ccccc3F)cc2)nn2c(C)cc(C)nc12.
What is the InChIKey of N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The InChIKey is JLPMYONMQRJJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-5-31(6-2)25(33)16-23-26(30-32-19(4)15-18(3)29-27(23)32)20-11-13-22(14-12-20)34-17-21-9-7-8-10-24(21)28/h7-15H,5-6,16-17H2,1-4H3.
What are the key properties of N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide has a molecular weight of 460.55 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 118731295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).