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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Related Compounds

2-(2-Furanyl)-7-(2-phenylethyl)-7H-pyrazolo(4,3-e)(1,2,4)triazolo(1,5-c)pyrimidin-5-amine
CID 176408
4-(azetidine-1-carbonyl)-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378843
4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[2-(2-fluoro-ethoxy)-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 86666030
4-(azetidine-1-carbonyl)-N-[2-[2-(3-fluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414845
2-(2-Furanyl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 9798914
HCAR2 agonist 1
CID 25101223
5-[[(4-Pyridyl)-amino]carbonyl]amino-8-methyl-2-(2-furyl)-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-c]pyrimidine
CID 9887859
1-[4-(Furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]-3-phenylurea
CID 9929470
2-(Furan-2-yl)-7-[3-(4-morpholin-4-ylpiperidin-1-yl)phenyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10216903
4-(Furan-2-yl)-11-(2-phenylethyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
CID 10246959
1-[4-[3-[5-Amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 10311130
2-(furan-2-yl)-8-(3-phenylpropyl)-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 10737168

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).