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

C19H14F2N4O2 — CID 1259765

IUPAC7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H14F2N4O2/c20-17(21)16-9-15(12-5-2-1-3-6-12)24-18-14(11-23-25(16)18)19(26)22-10-13-7-4-8-27-13/h1-9,11,17H,10H2,(H,22,26)
InChIKeyPKJZFMNFTPIMKI-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.86
Rot. Bonds5

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

7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1259765) has the molecular formula C19H14F2N4O2 and a molecular weight of 368.34 g/mol. Its IUPAC name is 7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1259765
Molecular FormulaC19H14F2N4O2
Molecular Weight368.34 g/mol
Exact Mass368.11
IUPAC Name7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccco1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
InChIInChI=1S/C19H14F2N4O2/c20-17(21)16-9-15(12-5-2-1-3-6-12)24-18-14(11-23-25(16)18)19(26)22-10-13-7-4-8-27-13/h1-9,11,17H,10H2,(H,22,26)
InChIKeyPKJZFMNFTPIMKI-UHFFFAOYSA-N
XLogP3.86
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1259765) is 7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1ccco1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12.
What is the InChIKey of 7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PKJZFMNFTPIMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2/c20-17(21)16-9-15(12-5-2-1-3-6-12)24-18-14(11-23-25(16)18)19(26)22-10-13-7-4-8-27-13/h1-9,11,17H,10H2,(H,22,26).
What are the key properties of 7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 368.34 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-N-(furan-2-ylmethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1259765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).