N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

C27H32FN5O — CID 20924239

IUPACN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(NCCCN1CCc2ccccc2C1)c1cnn(-c2ccc(F)cc2)c1C1CCNCC1
InChIInChI=1S/C27H32FN5O/c28-23-6-8-24(9-7-23)33-26(21-10-14-29-15-11-21)25(18-31-33)27(34)30-13-3-16-32-17-12-20-4-1-2-5-22(20)19-32/h1-2,4-9,18,21,29H,3,10-17,19H2,(H,30,34)
InChIKeyQHPPLEQQJALOEQ-UHFFFAOYSA-N
MW461.59 g/mol
LogP3.66
Rot. Bonds7

About N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 20924239) has the molecular formula C27H32FN5O and a molecular weight of 461.59 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID20924239
Molecular FormulaC27H32FN5O
Molecular Weight461.59 g/mol
Exact Mass461.26
IUPAC NameN-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
SMILESO=C(NCCCN1CCc2ccccc2C1)c1cnn(-c2ccc(F)cc2)c1C1CCNCC1
InChIInChI=1S/C27H32FN5O/c28-23-6-8-24(9-7-23)33-26(21-10-14-29-15-11-21)25(18-31-33)27(34)30-13-3-16-32-17-12-20-4-1-2-5-22(20)19-32/h1-2,4-9,18,21,29H,3,10-17,19H2,(H,30,34)
InChIKeyQHPPLEQQJALOEQ-UHFFFAOYSA-N
XLogP3.66
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide 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-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915312
1-(2-chlorophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 50759311
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(4-nitrophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053303
1-(4-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918588
1-(4-methylphenyl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053080
tert-butyl 4-[1-(4-fluorophenyl)-4-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]pyrazol-5-yl]piperidine-1-carboxylate
CID 46281471
N,1-bis(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20867242
1-(3-fluorophenyl)-N-(2-phenylethyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053363
methyl 5-amino-1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propylcarbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363579
1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119446091
N-(2-fluorophenyl)-1-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20953791
1-(3-chloro-4-methylphenyl)-N-[(4-fluorophenyl)methyl]-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053238

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide (CID 20924239) is N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is O=C(NCCCN1CCc2ccccc2C1)c1cnn(-c2ccc(F)cc2)c1C1CCNCC1.
What is the InChIKey of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is QHPPLEQQJALOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN5O/c28-23-6-8-24(9-7-23)33-26(21-10-14-29-15-11-21)25(18-31-33)27(34)30-13-3-16-32-17-12-20-4-1-2-5-22(20)19-32/h1-2,4-9,18,21,29H,3,10-17,19H2,(H,30,34).
What are the key properties of N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide?
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 461.59 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(4-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20924239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).