N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C20H27N5O — CID 120939140

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H27N5O/c26-19(20(7-10-21-11-8-20)25-13-3-9-23-25)22-12-15-24-14-6-17-4-1-2-5-18(17)16-24/h1-5,9,13,21H,6-8,10-12,14-16H2,(H,22,26)
InChIKeyMRLDFGXMFUTCLP-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.14
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120939140) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120939140
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NCCN1CCc2ccccc2C1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H27N5O/c26-19(20(7-10-21-11-8-20)25-13-3-9-23-25)22-12-15-24-14-6-17-4-1-2-5-18(17)16-24/h1-5,9,13,21H,6-8,10-12,14-16H2,(H,22,26)
InChIKeyMRLDFGXMFUTCLP-UHFFFAOYSA-N
XLogP1.14
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937758
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120930477
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120942485
N-[2-(benzenesulfonamido)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921380
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-[2-(benzenesulfonyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924924
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
N-[2-[ethyl(methyl)amino]ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940230
1-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119850099
N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923697

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120939140) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(NCCN1CCc2ccccc2C1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is MRLDFGXMFUTCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-19(20(7-10-21-11-8-20)25-13-3-9-23-25)22-12-15-24-14-6-17-4-1-2-5-18(17)16-24/h1-5,9,13,21H,6-8,10-12,14-16H2,(H,22,26).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120939140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).