5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H18F4N4O3 — CID 19455649

IUPAC5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)ccc1OC(F)F
InChIInChI=1S/C20H18F4N4O3/c1-2-30-16-7-11(5-6-15(16)31-20(23)24)25-19(29)13-9-17-26-12(10-3-4-10)8-14(18(21)22)28(17)27-13/h5-10,18,20H,2-4H2,1H3,(H,25,29)
InChIKeyGJYOSIVBQOFZDZ-UHFFFAOYSA-N
MW438.38 g/mol
LogP4.80
Rot. Bonds8

About 5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19455649) has the molecular formula C20H18F4N4O3 and a molecular weight of 438.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19455649
Molecular FormulaC20H18F4N4O3
Molecular Weight438.38 g/mol
Exact Mass438.13
IUPAC Name5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCOc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)ccc1OC(F)F
InChIInChI=1S/C20H18F4N4O3/c1-2-30-16-7-11(5-6-15(16)31-20(23)24)25-19(29)13-9-17-26-12(10-3-4-10)8-14(18(21)22)28(17)27-13/h5-10,18,20H,2-4H2,1H3,(H,25,29)
InChIKeyGJYOSIVBQOFZDZ-UHFFFAOYSA-N
XLogP4.80
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.38
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(difluoromethoxy)-3-ethoxyphenyl]-5,7-bis(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449221
5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453862
N-butan-2-yl-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455534
5-cyclopropyl-7-(difluoromethyl)-N-(2,3,4,5,6-pentafluorophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453911
5-cyclopropyl-N-(4-ethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447376
5-cyclopropyl-7-(difluoromethyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455555
5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455605
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]acetamide
CID 19518208
5-cyclopropyl-7-(difluoromethyl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455610
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263174
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazole-3-carboxamide
CID 19275452
1-[(4-bromopyrazol-1-yl)methyl]-N-[4-(difluoromethoxy)-3-ethoxyphenyl]pyrazole-3-carboxamide
CID 19271868

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19455649) is 5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCOc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)ccc1OC(F)F.
What is the InChIKey of 5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is GJYOSIVBQOFZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O3/c1-2-30-16-7-11(5-6-15(16)31-20(23)24)25-19(29)13-9-17-26-12(10-3-4-10)8-14(18(21)22)28(17)27-13/h5-10,18,20H,2-4H2,1H3,(H,25,29).
What are the key properties of 5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 438.38 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[4-(difluoromethoxy)-3-ethoxyphenyl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19455649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).