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

C24H26FN3O2 — CID 55687426

IUPAC1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)cc1
InChIInChI=1S/C24H26FN3O2/c1-16(2)30-18-12-10-17(11-13-18)14-15-26-24(29)23-19-6-5-9-21(19)28(27-23)22-8-4-3-7-20(22)25/h3-4,7-8,10-13,16H,5-6,9,14-15H2,1-2H3,(H,26,29)
InChIKeyPCOLCKXQVNWMNV-UHFFFAOYSA-N
MW407.49 g/mol
LogP4.26
Rot. Bonds7

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

1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 55687426) has the molecular formula C24H26FN3O2 and a molecular weight of 407.49 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID55687426
Molecular FormulaC24H26FN3O2
Molecular Weight407.49 g/mol
Exact Mass407.20
IUPAC Name1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)cc1
InChIInChI=1S/C24H26FN3O2/c1-16(2)30-18-12-10-17(11-13-18)14-15-26-24(29)23-19-6-5-9-21(19)28(27-23)22-8-4-3-7-20(22)25/h3-4,7-8,10-13,16H,5-6,9,14-15H2,1-2H3,(H,26,29)
InChIKeyPCOLCKXQVNWMNV-UHFFFAOYSA-N
XLogP4.26
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 ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55797582
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-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39412388
1-(2-fluorophenyl)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55690750
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773639
1-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39272234
N'-(4-ethylbenzoyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbohydrazide
CID 55687781
N-(2-amino-2-ethylbutyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119639834
N-cyclohexyl-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39397284
N-[(3-aminocyclobutyl)methyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167782084
methyl 2-[[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-methylpropanoate
CID 39459909
N-(2-ethylphenyl)-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39297108

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 55687426) is 1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CC(C)Oc1ccc(CCNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is PCOLCKXQVNWMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O2/c1-16(2)30-18-12-10-17(11-13-18)14-15-26-24(29)23-19-6-5-9-21(19)28(27-23)22-8-4-3-7-20(22)25/h3-4,7-8,10-13,16H,5-6,9,14-15H2,1-2H3,(H,26,29).
What are the key properties of 1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(2-fluorophenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 407.49 g/mol, XLogP of 4.26, 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-[2-(4-propan-2-yloxyphenyl)ethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 55687426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).