N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C15H16N4OS — CID 79497359

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H16N4OS/c16-13(21)12-8-17-19-14(12)18-15(20)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H2,16,21)(H2,17,18,19,20)
InChIKeyGBRPQUHVTCXMJQ-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.10
Rot. Bonds3

About N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 79497359) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID79497359
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC(=S)c1cn[nH]c1NC(=O)C1CCCc2ccccc21
InChIInChI=1S/C15H16N4OS/c16-13(21)12-8-17-19-14(12)18-15(20)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H2,16,21)(H2,17,18,19,20)
InChIKeyGBRPQUHVTCXMJQ-UHFFFAOYSA-N
XLogP2.10
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbamothioyl-1H-pyrazol-5-yl)cyclopentanecarboxamide
CID 79503212
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
2-methoxy-5-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]pyridine-3-carboxamide
CID 129471163
(1R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51933448
N-(4-carbamothioyl-1H-pyrazol-5-yl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001600
N-(3-amino-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62058346
N-(3-iodo-2H-indazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 86710936
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
(1R)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 125145379
N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60794002

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 79497359) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NC(=S)c1cn[nH]c1NC(=O)C1CCCc2ccccc21.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is GBRPQUHVTCXMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c16-13(21)12-8-17-19-14(12)18-15(20)11-7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,11H,3,5,7H2,(H2,16,21)(H2,17,18,19,20).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 79497359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).