7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H18F2N4O2 — CID 3158179

IUPAC7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H18F2N4O2/c1-2-30-19-11-7-6-10-16(19)27-22(29)15-13-25-28-18(20(23)24)12-17(26-21(15)28)14-8-4-3-5-9-14/h3-13,20H,2H2,1H3,(H,27,29)
InChIKeyNDFZMWXKSKNGNX-UHFFFAOYSA-N
MW408.41 g/mol
LogP4.98
Rot. Bonds6

About 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 3158179) has the molecular formula C22H18F2N4O2 and a molecular weight of 408.41 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID3158179
Molecular FormulaC22H18F2N4O2
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC Name7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H18F2N4O2/c1-2-30-19-11-7-6-10-16(19)27-22(29)15-13-25-28-18(20(23)24)12-17(26-21(15)28)14-8-4-3-5-9-14/h3-13,20H,2H2,1H3,(H,27,29)
InChIKeyNDFZMWXKSKNGNX-UHFFFAOYSA-N
XLogP4.98
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 3158179) is 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1ccccc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NDFZMWXKSKNGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2/c1-2-30-19-11-7-6-10-16(19)27-22(29)15-13-25-28-18(20(23)24)12-17(26-21(15)28)14-8-4-3-5-9-14/h3-13,20H,2H2,1H3,(H,27,29).
What are the key properties of 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(2-ethoxyphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3158179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).