1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C17H21FN4 — CID 4998014

IUPAC1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCN1CCC(c2nn(-c3ccccc3F)c3c2CCN3)CC1
InChIInChI=1S/C17H21FN4/c1-21-10-7-12(8-11-21)16-13-6-9-19-17(13)22(20-16)15-5-3-2-4-14(15)18/h2-5,12,19H,6-11H2,1H3
InChIKeyLEIZUUPFPNVKQW-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.79
Rot. Bonds2

About 1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 4998014) has the molecular formula C17H21FN4 and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID4998014
Molecular FormulaC17H21FN4
Molecular Weight300.38 g/mol
Exact Mass300.18
IUPAC Name1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCN1CCC(c2nn(-c3ccccc3F)c3c2CCN3)CC1
InChIInChI=1S/C17H21FN4/c1-21-10-7-12(8-11-21)16-13-6-9-19-17(13)22(20-16)15-5-3-2-4-14(15)18/h2-5,12,19H,6-11H2,1H3
InChIKeyLEIZUUPFPNVKQW-UHFFFAOYSA-N
XLogP2.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethylpiperidin-4-yl)-1-(2-fluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4998015
1-(2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3985369
1-(2-fluorophenyl)-3-(1-methylpiperidin-3-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4998018
1-(2-ethylphenyl)-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3897169
3-(1-methylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3981333
1-(2-fluorophenyl)-3-propan-2-yl-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 3932177
1-(3-chloro-2-methylphenyl)-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 4241521
3-cyclohexyl-1-(2-ethylphenyl)-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-b]azepine
CID 3338910
3-(1-benzylpiperidin-4-yl)-1-(3-chloro-2-methylphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4268494
3-cyclohexyl-1-(2-ethoxyphenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 4017946
1-(3-chloro-2-methylphenyl)-3-cyclohexyl-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
CID 3943504
1-(2-fluorophenyl)-3-(5-methylthiophen-2-yl)-5,6-dihydro-4H-pyrrolo[3,2-d]pyrazole
CID 4998025

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 4998014) is 1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is CN1CCC(c2nn(-c3ccccc3F)c3c2CCN3)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is LEIZUUPFPNVKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4/c1-21-10-7-12(8-11-21)16-13-6-9-19-17(13)22(20-16)15-5-3-2-4-14(15)18/h2-5,12,19H,6-11H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 300.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 4998014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).