3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine

C19H14F2N4 — CID 166043202

IUPAC3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine
SMILESFc1cccc(F)c1C1=Nc2c(n[nH]c2C2CC2)-c2ccccc2N1
InChIInChI=1S/C19H14F2N4/c20-12-5-3-6-13(21)15(12)19-22-14-7-2-1-4-11(14)17-18(23-19)16(24-25-17)10-8-9-10/h1-7,10H,8-9H2,(H,22,23)(H,24,25)
InChIKeyKXJMTYRHYQHKTB-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.74
Rot. Bonds2

About 3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine

3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine (PubChem CID 166043202) has the molecular formula C19H14F2N4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine.

Molecular Properties

Compound Name3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine
PubChem CID166043202
Molecular FormulaC19H14F2N4
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine
SMILESFc1cccc(F)c1C1=Nc2c(n[nH]c2C2CC2)-c2ccccc2N1
InChIInChI=1S/C19H14F2N4/c20-12-5-3-6-13(21)15(12)19-22-14-7-2-1-4-11(14)17-18(23-19)16(24-25-17)10-8-9-10/h1-7,10H,8-9H2,(H,22,23)(H,24,25)
InChIKeyKXJMTYRHYQHKTB-UHFFFAOYSA-N
XLogP4.74
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-Fluoro-3-methyl-5-phenyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 135484509
3-Methyl-5-phenyl-2,10-dihydrobenzo[e]pyrazolo[4,3-b][1,4]diazepine
CID 136002530
7-Fluoro-5-(2-fluorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002531
5-(2-Fluorophenyl)-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136002667
2-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[(4-fluorophenyl)methyl]benzene-1,3-diamine
CID 68910804
5-(2-Fluorophenyl)-7-isocyano-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
CID 136037457
5-[(2-Fluorophenyl)methyl]-7-methylidene-3-(2-methylpropyl)-2,6-dihydropyrazolo[4,3-d]pyrimidine
CID 142238493
4-(5-cyclopropyl-1H-pyrazol-3-yl)-7-fluoro-2-[(1S)-1-(4-fluorophenyl)ethyl]imino-1,3-dihydroquinazolin-4-amine
CID 150465763
5-[2-(Trifluoromethyl)phenyl]-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
CID 166043206
9-Methyl-5-(2,3,6-trifluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
CID 166043207
5-(2,6-Difluorophenyl)-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepin-8-amine
CID 166043210
5-(2,6-Difluorophenyl)-9-ethyl-1,4-dihydropyrazolo[4,5-d][1,3]benzodiazepine
CID 166043213

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine?
The IUPAC name of 3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine (CID 166043202) is 3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine.
What is the SMILES notation for 3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine?
The canonical SMILES for 3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine is Fc1cccc(F)c1C1=Nc2c(n[nH]c2C2CC2)-c2ccccc2N1.
What is the InChIKey of 3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine?
The InChIKey is KXJMTYRHYQHKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4/c20-12-5-3-6-13(21)15(12)19-22-14-7-2-1-4-11(14)17-18(23-19)16(24-25-17)10-8-9-10/h1-7,10H,8-9H2,(H,22,23)(H,24,25).
What are the key properties of 3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine?
3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine has a molecular weight of 336.35 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2,6-difluorophenyl)-2,6-dihydropyrazolo[4,3-d][1,3]benzodiazepine is sourced from PubChem (CID 166043202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).