N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide

C27H29FN4O2 — CID 122591429

IUPACN,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(-c3ccccc3)cc(C)nc12
InChIInChI=1S/C27H29FN4O2/c1-4-31(5-2)25(33)18-23-26(21-11-13-22(14-12-21)34-16-15-28)30-32-24(17-19(3)29-27(23)32)20-9-7-6-8-10-20/h6-14,17H,4-5,15-16,18H2,1-3H3
InChIKeyAWYDBNFYZIWOQU-UHFFFAOYSA-N
MW460.55 g/mol
LogP5.13
Rot. Bonds9

About N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide

N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide (PubChem CID 122591429) 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-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
PubChem CID122591429
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC NameN,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
SMILESCCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(-c3ccccc3)cc(C)nc12
InChIInChI=1S/C27H29FN4O2/c1-4-31(5-2)25(33)18-23-26(21-11-13-22(14-12-21)34-16-15-28)30-32-24(17-19(3)29-27(23)32)20-9-7-6-8-10-20/h6-14,17H,4-5,15-16,18H2,1-3H3
InChIKeyAWYDBNFYZIWOQU-UHFFFAOYSA-N
XLogP5.13
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-7-(hydroxymethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 118753079
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 71625549
N,N-diethyl-2-[5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-2-(4-propoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 122591192
2-[5,7-dimethyl-2-[4-(methylsulfanylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 71181881
2-[2-[4-[3-[4-[5,7-dimethyl-3-(2-oxopropyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenoxy]propoxy]phenyl]-6,8-dimethylimidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 58299421
2-[4-[7-butyl-3-[2-(diethylamino)-2-oxoethyl]-5-methylpyrazolo[1,5-a]pyrimidin-2-yl]phenoxy]ethyl 4-methylbenzenesulfonate
CID 134158905
2-[5,7-dimethyl-2-(4-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 177056290
2-[6,8-dimethyl-2-(4-propoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]-N,N-diethylacetamide
CID 58151978
N,N-diethyl-2-[2-(4-methoxyphenyl)-5,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 71717048
2-[4-[3-[2-(diethylamino)-2-oxoethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl]phenyl]ethyl 4-methylbenzenesulfonate
CID 122580794
2-[2-(4-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-phenylacetamide
CID 171619043
2-[2-(4-methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]-N-methyl-N-(4-methylphenyl)acetamide
CID 171618999

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide (CID 122591429) is N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide is CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(-c3ccccc3)cc(C)nc12.
What is the InChIKey of N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
The InChIKey is AWYDBNFYZIWOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c1-4-31(5-2)25(33)18-23-26(21-11-13-22(14-12-21)34-16-15-28)30-32-24(17-19(3)29-27(23)32)20-9-7-6-8-10-20/h6-14,17H,4-5,15-16,18H2,1-3H3.
What are the key properties of N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide?
N,N-diethyl-2-[2-[4-(2-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide has a molecular weight of 460.55 g/mol, XLogP of 5.13, 9 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-fluoroethoxy)phenyl]-5-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 122591429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).