1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide

C21H22N4O — CID 138994345

IUPAC1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide
SMILESCN1Cc2ccccc2C(NC(=O)c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C21H22N4O/c1-24-13-17-9-5-6-10-19(17)20(15-24)23-21(26)18-11-22-25(14-18)12-16-7-3-2-4-8-16/h2-11,14,20H,12-13,15H2,1H3,(H,23,26)
InChIKeyAZBSGZJXAYBQIP-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.85
Rot. Bonds4

About 1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide

1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide (PubChem CID 138994345) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide
PubChem CID138994345
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide
SMILESCN1Cc2ccccc2C(NC(=O)c2cnn(Cc3ccccc3)c2)C1
InChIInChI=1S/C21H22N4O/c1-24-13-17-9-5-6-10-19(17)20(15-24)23-21(26)18-11-22-25(14-18)12-16-7-3-2-4-8-16/h2-11,14,20H,12-13,15H2,1H3,(H,23,26)
InChIKeyAZBSGZJXAYBQIP-UHFFFAOYSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 138992571
1-benzylpyrazole-4-carbohydrazide
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1-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-4-carboxamide
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1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
1-benzyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrazole-4-carboxamide
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1-benzyl-N-(2-methylpiperidin-3-yl)pyrazole-4-carboxamide;hydrochloride
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1-benzyl-N-[(3R)-5-methyl-4-oxo-3,9-dihydro-2H-cyclopenta[h][1,5]benzothiazepin-3-yl]pyrazole-4-carboxamide;methane
CID 159061684
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide (CID 138994345) is 1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide is CN1Cc2ccccc2C(NC(=O)c2cnn(Cc3ccccc3)c2)C1.
What is the InChIKey of 1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide?
The InChIKey is AZBSGZJXAYBQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-24-13-17-9-5-6-10-19(17)20(15-24)23-21(26)18-11-22-25(14-18)12-16-7-3-2-4-8-16/h2-11,14,20H,12-13,15H2,1H3,(H,23,26).
What are the key properties of 1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide?
1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 138994345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).