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

C12H16N6OS — CID 79503795

IUPACN-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2[nH]ncc2C(N)=S)n(CC)n1
InChIInChI=1S/C12H16N6OS/c1-3-7-5-9(18(4-2)17-7)12(19)15-11-8(10(13)20)6-14-16-11/h5-6H,3-4H2,1-2H3,(H2,13,20)(H2,14,15,16,19)
InChIKeyVZYBBLWTDUGNHC-UHFFFAOYSA-N
MW292.37 g/mol
LogP1.08
Rot. Bonds5

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

N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 79503795) has the molecular formula C12H16N6OS and a molecular weight of 292.37 g/mol. Its IUPAC name is N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID79503795
Molecular FormulaC12H16N6OS
Molecular Weight292.37 g/mol
Exact Mass292.11
IUPAC NameN-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2[nH]ncc2C(N)=S)n(CC)n1
InChIInChI=1S/C12H16N6OS/c1-3-7-5-9(18(4-2)17-7)12(19)15-11-8(10(13)20)6-14-16-11/h5-6H,3-4H2,1-2H3,(H2,13,20)(H2,14,15,16,19)
InChIKeyVZYBBLWTDUGNHC-UHFFFAOYSA-N
XLogP1.08
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide (CID 79503795) is N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2[nH]ncc2C(N)=S)n(CC)n1.
What is the InChIKey of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is VZYBBLWTDUGNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6OS/c1-3-7-5-9(18(4-2)17-7)12(19)15-11-8(10(13)20)6-14-16-11/h5-6H,3-4H2,1-2H3,(H2,13,20)(H2,14,15,16,19).
What are the key properties of N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide?
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 292.37 g/mol, XLogP of 1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 79503795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).