(4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone

C18H20F2N4O — CID 166298629

IUPAC(4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
SMILESCC1CC(N)CN1C(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2
InChIInChI=1S/C18H20F2N4O/c1-10-7-12(21)9-23(10)18(25)17-13-3-2-4-15(13)24(22-17)16-6-5-11(19)8-14(16)20/h5-6,8,10,12H,2-4,7,9,21H2,1H3
InChIKeyJEMVHZYFHMEGPO-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.20
Rot. Bonds2

About (4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone

(4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (PubChem CID 166298629) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is (4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
PubChem CID166298629
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name(4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
SMILESCC1CC(N)CN1C(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2
InChIInChI=1S/C18H20F2N4O/c1-10-7-12(21)9-23(10)18(25)17-13-3-2-4-15(13)24(22-17)16-6-5-11(19)8-14(16)20/h5-6,8,10,12H,2-4,7,9,21H2,1H3
InChIKeyJEMVHZYFHMEGPO-UHFFFAOYSA-N
XLogP2.20
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119378821
[(2R,4R)-4-amino-2-phenylpyrrolidin-1-yl]-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 166243193
1-(4-fluoro-2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16771404
1-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113643
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 120656035
(3R,4R)-4-cyclopropyl-1-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 120978343
6-methyl-1-[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 122113801
1-(2-fluoro-4-methylphenyl)-N-methyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119551636
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 39390008
[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55687559
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119592869
(4-amino-3,3-dimethylpiperidin-1-yl)-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 120815818

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The IUPAC name of (4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (CID 166298629) is (4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.
What is the SMILES notation for (4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The canonical SMILES for (4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is CC1CC(N)CN1C(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2.
What is the InChIKey of (4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The InChIKey is JEMVHZYFHMEGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-10-7-12(21)9-23(10)18(25)17-13-3-2-4-15(13)24(22-17)16-6-5-11(19)8-14(16)20/h5-6,8,10,12H,2-4,7,9,21H2,1H3.
What are the key properties of (4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
(4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone has a molecular weight of 346.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is sourced from PubChem (CID 166298629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).