N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide

C10H16N4OS — CID 79503314

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C10H16N4OS/c1-2-3-4-5-8(15)13-10-7(9(11)16)6-12-14-10/h6H,2-5H2,1H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyPOUASUSBFOTYHD-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.56
Rot. Bonds6

About N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide

N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide (PubChem CID 79503314) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide
PubChem CID79503314
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide
SMILESCCCCCC(=O)Nc1[nH]ncc1C(N)=S
InChIInChI=1S/C10H16N4OS/c1-2-3-4-5-8(15)13-10-7(9(11)16)6-12-14-10/h6H,2-5H2,1H3,(H2,11,16)(H2,12,13,14,15)
InChIKeyPOUASUSBFOTYHD-UHFFFAOYSA-N
XLogP1.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide (CID 79503314) is N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide is CCCCCC(=O)Nc1[nH]ncc1C(N)=S.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide?
The InChIKey is POUASUSBFOTYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-2-3-4-5-8(15)13-10-7(9(11)16)6-12-14-10/h6H,2-5H2,1H3,(H2,11,16)(H2,12,13,14,15).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)hexanamide has a molecular weight of 240.33 g/mol, XLogP of 1.56, 6 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)hexanamide is sourced from PubChem (CID 79503314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).