2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C20H19F2N3 — CID 53186415

IUPAC2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESFc1ccc(-c2cc3n(n2)CCCN(Cc2cccc(F)c2)C3)cc1
InChIInChI=1S/C20H19F2N3/c21-17-7-5-16(6-8-17)20-12-19-14-24(9-2-10-25(19)23-20)13-15-3-1-4-18(22)11-15/h1,3-8,11-12H,2,9-10,13-14H2
InChIKeyHRSKKBNQYQQPFD-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.23
Rot. Bonds3

About 2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 53186415) has the molecular formula C20H19F2N3 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID53186415
Molecular FormulaC20H19F2N3
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESFc1ccc(-c2cc3n(n2)CCCN(Cc2cccc(F)c2)C3)cc1
InChIInChI=1S/C20H19F2N3/c21-17-7-5-16(6-8-17)20-12-19-14-24(9-2-10-25(19)23-20)13-15-3-1-4-18(22)11-15/h1,3-8,11-12H,2,9-10,13-14H2
InChIKeyHRSKKBNQYQQPFD-UHFFFAOYSA-N
XLogP4.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 53186415) is 2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is Fc1ccc(-c2cc3n(n2)CCCN(Cc2cccc(F)c2)C3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is HRSKKBNQYQQPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3/c21-17-7-5-16(6-8-17)20-12-19-14-24(9-2-10-25(19)23-20)13-15-3-1-4-18(22)11-15/h1,3-8,11-12H,2,9-10,13-14H2.
What are the key properties of 2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 339.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(3-fluorophenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 53186415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).