N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C14H18N4O2S — CID 61021543

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H18N4O2S/c1-11-14(8-15-17-11)9-16-21(19,20)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8,16H,6-7,9-10H2,1H3,(H,15,17)
InChIKeyBTCYZEOWUCNMKD-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.11
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 61021543) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID61021543
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCc1[nH]ncc1CNS(=O)(=O)N1CCc2ccccc2C1
InChIInChI=1S/C14H18N4O2S/c1-11-14(8-15-17-11)9-16-21(19,20)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8,16H,6-7,9-10H2,1H3,(H,15,17)
InChIKeyBTCYZEOWUCNMKD-UHFFFAOYSA-N
XLogP1.11
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide 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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 75462254
N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 31701157
N-(5-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 63823161
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 86808675
4-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106015085
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 61022852
N-[(4-nitrophenyl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 71889803
N-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-(1H-pyrazol-5-yl)acetamide
CID 167861357
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2,2-dimethylpropanoic acid
CID 115427470
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonylamino)-2-methylpropanoic acid
CID 62675363
N-(2,3-dihydroxy-2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 66169504
N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 115301347

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 61021543) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is Cc1[nH]ncc1CNS(=O)(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is BTCYZEOWUCNMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-11-14(8-15-17-11)9-16-21(19,20)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8,16H,6-7,9-10H2,1H3,(H,15,17).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 61021543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).