1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine

C16H12F3N5O — CID 141405392

IUPAC1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(OC(F)F)c(-c2[nH]ncc2N2CC=C3N=CC=CN32)c1
InChIInChI=1S/C16H12F3N5O/c17-10-2-3-13(25-16(18)19)11(8-10)15-12(9-21-22-15)23-7-4-14-20-5-1-6-24(14)23/h1-6,8-9,16H,7H2,(H,21,22)
InChIKeyNESZAYAJXPAFLI-UHFFFAOYSA-N
MW347.30 g/mol
LogP3.29
Rot. Bonds4

About 1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine

1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine (PubChem CID 141405392) has the molecular formula C16H12F3N5O and a molecular weight of 347.30 g/mol. Its IUPAC name is 1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
PubChem CID141405392
Molecular FormulaC16H12F3N5O
Molecular Weight347.30 g/mol
Exact Mass347.10
IUPAC Name1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
SMILESFc1ccc(OC(F)F)c(-c2[nH]ncc2N2CC=C3N=CC=CN32)c1
InChIInChI=1S/C16H12F3N5O/c17-10-2-3-13(25-16(18)19)11(8-10)15-12(9-21-22-15)23-7-4-14-20-5-1-6-24(14)23/h1-6,8-9,16H,7H2,(H,21,22)
InChIKeyNESZAYAJXPAFLI-UHFFFAOYSA-N
XLogP3.29
TPSA56.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812599
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209918
4-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-5-ylmethyl)pyrazole
CID 118864337
1-[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]-1,4-diazepane
CID 142601323
1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-phenyl-1,4-diazepane
CID 16189893
Pyrazole, 4-amino-5-(o-methoxyphenyl)-, hydrochloride
CID 13303418
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-methylethanamine
CID 42593879
1-[(4,4-Difluoro-1-{[3-(2-methoxyphenyl)-1H-pyrazol-4-YL]methyl}pyrrolidin-2-YL)methyl]piperidine
CID 124040173
5-[2-(difluoromethoxy)phenyl]-1H-pyrazole
CID 22660758
1-(2,4-Difluoro-phenyl)-3-[4-methoxy-3-(2H-pyrazol-3-yl)-phenyl]-urea
CID 23139467
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-(4-methoxyphenyl)piperazine
CID 24865378
1-[5-(4-fluoro-2-phenylmethoxyphenyl)-1H-pyrazol-4-yl]-4-methylpiperazine
CID 57934831

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine (CID 141405392) is 1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine is Fc1ccc(OC(F)F)c(-c2[nH]ncc2N2CC=C3N=CC=CN32)c1.
What is the InChIKey of 1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is NESZAYAJXPAFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O/c17-10-2-3-13(25-16(18)19)11(8-10)15-12(9-21-22-15)23-7-4-14-20-5-1-6-24(14)23/h1-6,8-9,16H,7H2,(H,21,22).
What are the key properties of 1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 347.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(difluoromethoxy)-5-fluorophenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141405392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).