1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C21H20F2N4O2 — CID 75464118

IUPAC1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOCCN(C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccncc1
InChIInChI=1S/C21H20F2N4O2/c1-29-12-11-26(14-7-9-24-10-8-14)21(28)20-16-3-2-4-19(16)27(25-20)15-5-6-17(22)18(23)13-15/h5-10,13H,2-4,11-12H2,1H3
InChIKeyPNQOJPVGQOYWGP-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.33
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 75464118) has the molecular formula C21H20F2N4O2 and a molecular weight of 398.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID75464118
Molecular FormulaC21H20F2N4O2
Molecular Weight398.41 g/mol
Exact Mass398.16
IUPAC Name1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCOCCN(C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccncc1
InChIInChI=1S/C21H20F2N4O2/c1-29-12-11-26(14-7-9-24-10-8-14)21(28)20-16-3-2-4-19(16)27(25-20)15-5-6-17(22)18(23)13-15/h5-10,13H,2-4,11-12H2,1H3
InChIKeyPNQOJPVGQOYWGP-UHFFFAOYSA-N
XLogP3.33
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-N-(pyridin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55772236
1-(3,4-difluorophenyl)-N-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166232470
2-hydroxyethyl 1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 71938033
N-(3-aminopropyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119407715
1-(3,4-difluorophenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55774718
1-(3,4-difluorophenyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773204
N-(1,3-benzodioxol-5-yl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46487658
1-(3,4-difluorophenyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 87043737
1-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 120653318
1-(3,4-difluorophenyl)-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773223
1-(3,4-difluorophenyl)-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 56559190
1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47865715

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 75464118) is 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is COCCN(C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccncc1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is PNQOJPVGQOYWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O2/c1-29-12-11-26(14-7-9-24-10-8-14)21(28)20-16-3-2-4-19(16)27(25-20)15-5-6-17(22)18(23)13-15/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(2-methoxyethyl)-N-pyridin-4-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 75464118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).