1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C24H26FN3O2 — CID 55797582

IUPAC1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1
InChIInChI=1S/C24H26FN3O2/c1-16(2)30-15-18-8-5-7-17(13-18)14-26-24(29)23-19-9-6-12-21(19)28(27-23)22-11-4-3-10-20(22)25/h3-5,7-8,10-11,13,16H,6,9,12,14-15H2,1-2H3,(H,26,29)
InChIKeyFYTVJSDLSKXYIQ-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.36
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55797582) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55797582
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)OCc1cccc(CNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1
InChIInChI=1S/C24H26FN3O2/c1-16(2)30-15-18-8-5-7-17(13-18)14-26-24(29)23-19-9-6-12-21(19)28(27-23)22-11-4-3-10-20(22)25/h3-5,7-8,10-11,13,16H,6,9,12,14-15H2,1-2H3,(H,26,29)
InChIKeyFYTVJSDLSKXYIQ-UHFFFAOYSA-N
XLogP4.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39412388
1-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39272234
1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55687426
N-[(2,3-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451794
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55780988
N'-(4-ethylbenzoyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 55687781
N-(3-acetylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39040435
1-(2-fluorophenyl)-N-[1-oxo-1-(propylamino)propan-2-yl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46451658
1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55690750
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39466398
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55689902
1-(2-fluorophenyl)-N'-(2-methylbenzoyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 46452967

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55797582) is 1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CC(C)OCc1cccc(CNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is FYTVJSDLSKXYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-16(2)30-15-18-8-5-7-17(13-18)14-26-24(29)23-19-9-6-12-21(19)28(27-23)22-11-4-3-10-20(22)25/h3-5,7-8,10-11,13,16H,6,9,12,14-15H2,1-2H3,(H,26,29).
What are the key properties of 1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55797582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).