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

C18H20FN5 — CID 166232098

IUPACN-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine
SMILESCN(Cc1cn[nH]c1)Cc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C18H20FN5/c1-23(11-13-9-20-21-10-13)12-17-16-3-2-4-18(16)24(22-17)15-7-5-14(19)6-8-15/h5-10H,2-4,11-12H2,1H3,(H,20,21)
InChIKeyKENWDUKINLONPS-UHFFFAOYSA-N
MW325.39 g/mol
LogP2.86
Rot. Bonds5

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

N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine (PubChem CID 166232098) has the molecular formula C18H20FN5 and a molecular weight of 325.39 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine
PubChem CID166232098
Molecular FormulaC18H20FN5
Molecular Weight325.39 g/mol
Exact Mass325.17
IUPAC NameN-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine
SMILESCN(Cc1cn[nH]c1)Cc1nn(-c2ccc(F)cc2)c2c1CCC2
InChIInChI=1S/C18H20FN5/c1-23(11-13-9-20-21-10-13)12-17-16-3-2-4-18(16)24(22-17)15-7-5-14(19)6-8-15/h5-10H,2-4,11-12H2,1H3,(H,20,21)
InChIKeyKENWDUKINLONPS-UHFFFAOYSA-N
XLogP2.86
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine (CID 166232098) is N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-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-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine is CN(Cc1cn[nH]c1)Cc1nn(-c2ccc(F)cc2)c2c1CCC2.
What is the InChIKey of N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine?
The InChIKey is KENWDUKINLONPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5/c1-23(11-13-9-20-21-10-13)12-17-16-3-2-4-18(16)24(22-17)15-7-5-14(19)6-8-15/h5-10H,2-4,11-12H2,1H3,(H,20,21).
What are the key properties of N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine?
N-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]methyl]-N-methyl-1-(1H-pyrazol-4-yl)methanamine has a molecular weight of 325.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 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-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 166232098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).