3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine

C19H26FN5 — CID 12751451

IUPAC3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine
SMILESCc1nn(C)c2c1C(c1cccc(F)c1)=NCCN2CCCN(C)C
InChIInChI=1S/C19H26FN5/c1-14-17-18(15-7-5-8-16(20)13-15)21-9-12-25(11-6-10-23(2)3)19(17)24(4)22-14/h5,7-8,13H,6,9-12H2,1-4H3
InChIKeyFQWBSXYQSDDPQM-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.48
Rot. Bonds5

About 3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine

3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine (PubChem CID 12751451) has the molecular formula C19H26FN5 and a molecular weight of 343.45 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine
PubChem CID12751451
Molecular FormulaC19H26FN5
Molecular Weight343.45 g/mol
Exact Mass343.22
IUPAC Name3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine
SMILESCc1nn(C)c2c1C(c1cccc(F)c1)=NCCN2CCCN(C)C
InChIInChI=1S/C19H26FN5/c1-14-17-18(15-7-5-8-16(20)13-15)21-9-12-25(11-6-10-23(2)3)19(17)24(4)22-14/h5,7-8,13H,6,9-12H2,1-4H3
InChIKeyFQWBSXYQSDDPQM-UHFFFAOYSA-N
XLogP2.48
TPSA36.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 35775
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CID 71416
1-(cyclohexylmethyl)-3-methyl-4-phenyl-1H-pyrazol-5-amine
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N-[2-(2-cyanoethyl)-5-methyl-3-pyrazolyl]-N''-methylbenzenecarboximidamide
CID 2324502
(+/-)-N,N-dimethyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225102
N-ethyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
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1-Cyclohexyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 599772
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-fluoro-N'-methylbenzenecarboximidamide
CID 2324519
1-benzyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 684795
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-fluoro-N'-methylbenzenecarboximidamide
CID 2324656
4-[(4-fluorophenyl)methyl]-2-methyl-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134806173
7-Fluoro-2-methyl-10-(4-methyl-piperazin-1-yl)-1-phenyl-2,4-dihydro-2,3,4,9-tetraaza-benzo[f]azulene
CID 136026491

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine (CID 12751451) is 3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine is Cc1nn(C)c2c1C(c1cccc(F)c1)=NCCN2CCCN(C)C.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is FQWBSXYQSDDPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5/c1-14-17-18(15-7-5-8-16(20)13-15)21-9-12-25(11-6-10-23(2)3)19(17)24(4)22-14/h5,7-8,13H,6,9-12H2,1-4H3.
What are the key properties of 3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine?
3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 343.45 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1,3-dimethyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 12751451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).