N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

C19H23FN4O — CID 119600725

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESNCC1CCCC1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C19H23FN4O/c20-14-7-1-2-9-17(14)24-16-10-4-6-13(16)18(23-24)19(25)22-15-8-3-5-12(15)11-21/h1-2,7,9,12,15H,3-6,8,10-11,21H2,(H,22,25)
InChIKeyKJGRBIGWXOXNMU-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.36
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide

N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (PubChem CID 119600725) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
PubChem CID119600725
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
SMILESNCC1CCCC1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2
InChIInChI=1S/C19H23FN4O/c20-14-7-1-2-9-17(14)24-16-10-4-6-13(16)18(23-24)19(25)22-15-8-3-5-12(15)11-21/h1-2,7,9,12,15H,3-6,8,10-11,21H2,(H,22,25)
InChIKeyKJGRBIGWXOXNMU-UHFFFAOYSA-N
XLogP2.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide (CID 119600725) is N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is NCC1CCCC1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is KJGRBIGWXOXNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-14-7-1-2-9-17(14)24-16-10-4-6-13(16)18(23-24)19(25)22-15-8-3-5-12(15)11-21/h1-2,7,9,12,15H,3-6,8,10-11,21H2,(H,22,25).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide?
N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(2-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 119600725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).