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

C24H23FN4O2 — CID 56572748

IUPACN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1
InChIInChI=1S/C24H23FN4O2/c1-2-31-20-13-11-18(12-14-20)28(16-4-15-26)24(30)23-21-5-3-6-22(21)29(27-23)19-9-7-17(25)8-10-19/h7-14H,2-6,16H2,1H3
InChIKeyRSEOKLTXSIMNRE-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.46
Rot. Bonds7

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

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 56572748) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID56572748
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCCOc1ccc(N(CCC#N)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1
InChIInChI=1S/C24H23FN4O2/c1-2-31-20-13-11-18(12-14-20)28(16-4-15-26)24(30)23-21-5-3-6-22(21)29(27-23)19-9-7-17(25)8-10-19/h7-14H,2-6,16H2,1H3
InChIKeyRSEOKLTXSIMNRE-UHFFFAOYSA-N
XLogP4.46
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55377904
2-[ethyl-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 119206416
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
[2-(4-ethoxyanilino)-2-oxoethyl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 16581145
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119172389
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methoxy]benzamide
CID 56572846
N-(2-cyanoethyl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 2344487
2-cyano-3-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-N-methyl-3-oxopropanamide
CID 75493488
1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 75464118
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30859959
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
[2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate
CID 16535913

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 56572748) is N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is CCOc1ccc(N(CCC#N)C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is RSEOKLTXSIMNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-2-31-20-13-11-18(12-14-20)28(16-4-15-26)24(30)23-21-5-3-6-22(21)29(27-23)19-9-7-17(25)8-10-19/h7-14H,2-6,16H2,1H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 56572748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).