(2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

C19H23N5O — CID 95318638

IUPAC(2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)n(CCC#N)n1
InChIInChI=1S/C19H23N5O/c1-14-12-18(24(22-14)10-5-9-20)21-19(25)15(2)23-11-8-16-6-3-4-7-17(16)13-23/h3-4,6-7,12,15H,5,8,10-11,13H2,1-2H3,(H,21,25)/t15-/m1/s1
InChIKeyYFTACHLPLVKZEH-OAHLLOKOSA-N
MW337.43 g/mol
LogP2.49
Rot. Bonds5

About (2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide

(2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (PubChem CID 95318638) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is (2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
PubChem CID95318638
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name(2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)n(CCC#N)n1
InChIInChI=1S/C19H23N5O/c1-14-12-18(24(22-14)10-5-9-20)21-19(25)15(2)23-11-8-16-6-3-4-7-17(16)13-23/h3-4,6-7,12,15H,5,8,10-11,13H2,1-2H3,(H,21,25)/t15-/m1/s1
InChIKeyYFTACHLPLVKZEH-OAHLLOKOSA-N
XLogP2.49
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446966
(2R)-N-(3-chloro-4-cyanophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248461
N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(4-cyanophenoxy)propanamide
CID 51096801
1-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-3-cyclopropylurea
CID 47200898
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4786224
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 9248441
(2R)-N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 9248457
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 95980822
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9248397
N-(4-bromophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 4818280
N-(2-amino-2-methylpropyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 119628097
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methoxyethyl)propanamide
CID 9248289

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The IUPAC name of (2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide (CID 95318638) is (2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The canonical SMILES for (2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)n(CCC#N)n1.
What is the InChIKey of (2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
The InChIKey is YFTACHLPLVKZEH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-12-18(24(22-14)10-5-9-20)21-19(25)15(2)23-11-8-16-6-3-4-7-17(16)13-23/h3-4,6-7,12,15H,5,8,10-11,13H2,1-2H3,(H,21,25)/t15-/m1/s1.
What are the key properties of (2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide?
(2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide has a molecular weight of 337.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-cyanoethyl)-5-methylpyrazol-3-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide is sourced from PubChem (CID 95318638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).