(3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone

C19H23FN4O — CID 119378821

IUPAC(3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCCC(N)C3)c3c2CCC3)c(F)c1
InChIInChI=1S/C19H23FN4O/c1-12-7-8-17(15(20)10-12)24-16-6-2-5-14(16)18(22-24)19(25)23-9-3-4-13(21)11-23/h7-8,10,13H,2-6,9,11,21H2,1H3
InChIKeyZIZSRDNPQIBLMF-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.37
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone

(3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (PubChem CID 119378821) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
PubChem CID119378821
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCCC(N)C3)c3c2CCC3)c(F)c1
InChIInChI=1S/C19H23FN4O/c1-12-7-8-17(15(20)10-12)24-16-6-2-5-14(16)18(22-24)19(25)23-9-3-4-13(21)11-23/h7-8,10,13H,2-6,9,11,21H2,1H3
InChIKeyZIZSRDNPQIBLMF-UHFFFAOYSA-N
XLogP2.37
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(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
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119593617
1-ethyl-4-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1,4-diazepan-2-one
CID 126789297
4-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-1-propyl-1,4-diazepan-2-one
CID 126791448
[3-(1-aminoethyl)piperidin-1-yl]-[1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119592869
(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl]methanone
CID 119378590
4-[1-(2-fluoro-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholine-2-carboxylic acid
CID 122107865
(3-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-3-yl]methanone;hydrochloride
CID 119378589
[4-(1-aminoethyl)piperidin-1-yl]-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 119517635
(4-amino-2-methylpyrrolidin-1-yl)-[1-(2,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone
CID 166298629
1-[1-(2,4-dimethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 119349631

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone (CID 119378821) is (3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is Cc1ccc(-n2nc(C(=O)N3CCCC(N)C3)c3c2CCC3)c(F)c1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
The InChIKey is ZIZSRDNPQIBLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-12-7-8-17(15(20)10-12)24-16-6-2-5-14(16)18(22-24)19(25)23-9-3-4-13(21)11-23/h7-8,10,13H,2-6,9,11,21H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone?
(3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone has a molecular weight of 342.42 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[1-(2-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methanone is sourced from PubChem (CID 119378821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).