7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C20H20F2N4O3 — CID 2945025

IUPAC7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1
InChIInChI=1S/C20H20F2N4O3/c1-28-13-6-4-12(5-7-13)16-9-17(18(21)22)26-19(25-16)15(11-24-26)20(27)23-10-14-3-2-8-29-14/h4-7,9,11,14,18H,2-3,8,10H2,1H3,(H,23,27)
InChIKeyHOVKKKSVEANXDC-UHFFFAOYSA-N
MW402.40 g/mol
LogP3.25
Rot. Bonds6

About 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2945025) has the molecular formula C20H20F2N4O3 and a molecular weight of 402.40 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2945025
Molecular FormulaC20H20F2N4O3
Molecular Weight402.40 g/mol
Exact Mass402.15
IUPAC Name7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1
InChIInChI=1S/C20H20F2N4O3/c1-28-13-6-4-12(5-7-13)16-9-17(18(21)22)26-19(25-16)15(11-24-26)20(27)23-10-14-3-2-8-29-14/h4-7,9,11,14,18H,2-3,8,10H2,1H3,(H,23,27)
InChIKeyHOVKKKSVEANXDC-UHFFFAOYSA-N
XLogP3.25
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2945025) is 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1.
What is the InChIKey of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HOVKKKSVEANXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O3/c1-28-13-6-4-12(5-7-13)16-9-17(18(21)22)26-19(25-16)15(11-24-26)20(27)23-10-14-3-2-8-29-14/h4-7,9,11,14,18H,2-3,8,10H2,1H3,(H,23,27).
What are the key properties of 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 402.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-(4-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2945025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).