N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine

C19H24FN3O — CID 71879525

IUPACN-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(Cc1nn(-c2ccc(F)cc2)c2c1CCC2)CC1CCCO1
InChIInChI=1S/C19H24FN3O/c1-22(12-16-4-3-11-24-16)13-18-17-5-2-6-19(17)23(21-18)15-9-7-14(20)8-10-15/h7-10,16H,2-6,11-13H2,1H3
InChIKeyIWUXUVJYVGARSB-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.11
Rot. Bonds5

About N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine

N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine (PubChem CID 71879525) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
PubChem CID71879525
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC NameN-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine
SMILESCN(Cc1nn(-c2ccc(F)cc2)c2c1CCC2)CC1CCCO1
InChIInChI=1S/C19H24FN3O/c1-22(12-16-4-3-11-24-16)13-18-17-5-2-6-19(17)23(21-18)15-9-7-14(20)8-10-15/h7-10,16H,2-6,11-13H2,1H3
InChIKeyIWUXUVJYVGARSB-UHFFFAOYSA-N
XLogP3.11
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine
CID 166232098
3-(cyclopropylsulfonylmethyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 155957185
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methyl-N-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]methanamine
CID 49229975
1-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909078
N-ethyl-1-(4-fluorophenyl)-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-triazole-3-carboxamide
CID 94489794
1-(4-chlorophenyl)-N-ethyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 75405036
2-[4-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248759
2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 107693985
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-1,2,6-thiadiazinane 1,1-dioxide
CID 167761102
(2R)-2-methyl-3-[methyl-[(1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methyl]amino]propanenitrile
CID 94797995
2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119172389
1-(4-fluorophenyl)-3-[(1-methylimidazol-2-yl)sulfanylmethyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 60591961

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine (CID 71879525) is N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine is CN(Cc1nn(-c2ccc(F)cc2)c2c1CCC2)CC1CCCO1.
What is the InChIKey of N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
The InChIKey is IWUXUVJYVGARSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-22(12-16-4-3-11-24-16)13-18-17-5-2-6-19(17)23(21-18)15-9-7-14(20)8-10-15/h7-10,16H,2-6,11-13H2,1H3.
What are the key properties of N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine?
N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine has a molecular weight of 329.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 71879525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).