7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine

C19H21F2N3 — CID 142838201

IUPAC7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine
SMILESCC1=C2N=CC(c3ccc(F)cc3)=C(C3CCCCC3)N2N(F)C1
InChIInChI=1S/C19H21F2N3/c1-13-12-23(21)24-18(15-5-3-2-4-6-15)17(11-22-19(13)24)14-7-9-16(20)10-8-14/h7-11,15H,2-6,12H2,1H3
InChIKeyLDTSFQZURWNRAQ-UHFFFAOYSA-N
MW329.39 g/mol
LogP4.85
Rot. Bonds2

About 7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine

7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine (PubChem CID 142838201) has the molecular formula C19H21F2N3 and a molecular weight of 329.39 g/mol. Its IUPAC name is 7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine
PubChem CID142838201
Molecular FormulaC19H21F2N3
Molecular Weight329.39 g/mol
Exact Mass329.17
IUPAC Name7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine
SMILESCC1=C2N=CC(c3ccc(F)cc3)=C(C3CCCCC3)N2N(F)C1
InChIInChI=1S/C19H21F2N3/c1-13-12-23(21)24-18(15-5-3-2-4-6-15)17(11-22-19(13)24)14-7-9-16(20)10-8-14/h7-11,15H,2-6,12H2,1H3
InChIKeyLDTSFQZURWNRAQ-UHFFFAOYSA-N
XLogP4.85
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine (CID 142838201) is 7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine is CC1=C2N=CC(c3ccc(F)cc3)=C(C3CCCCC3)N2N(F)C1.
What is the InChIKey of 7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is LDTSFQZURWNRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3/c1-13-12-23(21)24-18(15-5-3-2-4-6-15)17(11-22-19(13)24)14-7-9-16(20)10-8-14/h7-11,15H,2-6,12H2,1H3.
What are the key properties of 7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine?
7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 329.39 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-1-fluoro-6-(4-fluorophenyl)-3-methyl-2H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142838201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).