7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H24F2N4O4 — CID 3567865

IUPAC7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC(C)c4ccc(OC)c(OC)c4)c3n2)cc1
InChIInChI=1S/C25H24F2N4O4/c1-14(16-7-10-21(34-3)22(11-16)35-4)29-25(32)18-13-28-31-20(23(26)27)12-19(30-24(18)31)15-5-8-17(33-2)9-6-15/h5-14,23H,1-4H3,(H,29,32)
InChIKeyAZTZPGXGDJVPQG-UHFFFAOYSA-N
MW482.49 g/mol
LogP4.85
Rot. Bonds8

About 7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3567865) has the molecular formula C25H24F2N4O4 and a molecular weight of 482.49 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3567865
Molecular FormulaC25H24F2N4O4
Molecular Weight482.49 g/mol
Exact Mass482.18
IUPAC Name7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC(C)c4ccc(OC)c(OC)c4)c3n2)cc1
InChIInChI=1S/C25H24F2N4O4/c1-14(16-7-10-21(34-3)22(11-16)35-4)29-25(32)18-13-28-31-20(23(26)27)12-19(30-24(18)31)15-5-8-17(33-2)9-6-15/h5-14,23H,1-4H3,(H,29,32)
InChIKeyAZTZPGXGDJVPQG-UHFFFAOYSA-N
XLogP4.85
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1046504
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1094056
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17382177
7-(difluoromethyl)-5-phenyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447257
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
(2S)-2-[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 148542991
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(3-methylpent-1-yn-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4916166
N-(5-tert-butyl-2-methoxyphenyl)-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4523516
[7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 1094047
N-[(2R)-butan-2-yl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1111013
methyl 5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 4770358

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3567865) is 7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC(C)c4ccc(OC)c(OC)c4)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AZTZPGXGDJVPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O4/c1-14(16-7-10-21(34-3)22(11-16)35-4)29-25(32)18-13-28-31-20(23(26)27)12-19(30-24(18)31)15-5-8-17(33-2)9-6-15/h5-14,23H,1-4H3,(H,29,32).
What are the key properties of 7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 482.49 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3567865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).