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

C19H18F2N4O2 — CID 47865715

IUPAC1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C19H18F2N4O2/c1-10-14(11(2)27-24-10)9-22-19(26)18-13-4-3-5-17(13)25(23-18)12-6-7-15(20)16(21)8-12/h6-8H,3-5,9H2,1-2H3,(H,22,26)
InChIKeyMGBDUDHTEKIILC-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.17
Rot. Bonds4

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

1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 47865715) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID47865715
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESCc1noc(C)c1CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2
InChIInChI=1S/C19H18F2N4O2/c1-10-14(11(2)27-24-10)9-22-19(26)18-13-4-3-5-17(13)25(23-18)12-6-7-15(20)16(21)8-12/h6-8H,3-5,9H2,1-2H3,(H,22,26)
InChIKeyMGBDUDHTEKIILC-UHFFFAOYSA-N
XLogP3.17
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(pyridin-4-ylmethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55772236
N-(3-aminopropyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119407715
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-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773204
1-(3,4-difluorophenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55777432
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-(2-hydroxy-2-pyridin-4-ylethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 166232470
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55784533
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55773639
1-(3,4-difluorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 126781032
N-(2-benzamidophenyl)-1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55932728

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of 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) is 1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is Cc1noc(C)c1CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is MGBDUDHTEKIILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-10-14(11(2)27-24-10)9-22-19(26)18-13-4-3-5-17(13)25(23-18)12-6-7-15(20)16(21)8-12/h6-8H,3-5,9H2,1-2H3,(H,22,26).
What are the key properties of 1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 47865715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).