N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide

C24H26N4O — CID 25273984

IUPACN-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1cc(CN2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3C2)n[nH]1
InChIInChI=1S/C24H26N4O/c1-17-13-22(27-26-17)16-28-12-9-18-7-8-21(14-19(18)15-28)25-23(29)24(10-11-24)20-5-3-2-4-6-20/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,29)(H,26,27)
InChIKeyWGXCNXSJPQKASX-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.95
Rot. Bonds5

About N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide

N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 25273984) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID25273984
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCc1cc(CN2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3C2)n[nH]1
InChIInChI=1S/C24H26N4O/c1-17-13-22(27-26-17)16-28-12-9-18-7-8-21(14-19(18)15-28)25-23(29)24(10-11-24)20-5-3-2-4-6-20/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,29)(H,26,27)
InChIKeyWGXCNXSJPQKASX-UHFFFAOYSA-N
XLogP3.95
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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N-[[(3S)-1-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 95222106
3-(4-methylphenyl)-N-[2-(1H-pyrazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 42592111
4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid
CID 63650023
3-(4-methylphenyl)-N-[2-(pyridin-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
CID 42292030
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N-[2-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide
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N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide (CID 25273984) is N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide is Cc1cc(CN2CCc3ccc(NC(=O)C4(c5ccccc5)CC4)cc3C2)n[nH]1.
What is the InChIKey of N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is WGXCNXSJPQKASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-17-13-22(27-26-17)16-28-12-9-18-7-8-21(14-19(18)15-28)25-23(29)24(10-11-24)20-5-3-2-4-6-20/h2-8,13-14H,9-12,15-16H2,1H3,(H,25,29)(H,26,27).
What are the key properties of N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide?
N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 25273984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).