N,3,5-triethylpyrazole-1-carbothioamide

C10H17N3S — CID 100955641

IUPACN,3,5-triethylpyrazole-1-carbothioamide
SMILESCCNC(=S)n1nc(CC)cc1CC
InChIInChI=1S/C10H17N3S/c1-4-8-7-9(5-2)13(12-8)10(14)11-6-3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyICMJRLNRQCPLBX-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.75
Rot. Bonds3

About N,3,5-triethylpyrazole-1-carbothioamide

N,3,5-triethylpyrazole-1-carbothioamide (PubChem CID 100955641) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N,3,5-triethylpyrazole-1-carbothioamide.

Molecular Properties

Compound NameN,3,5-triethylpyrazole-1-carbothioamide
PubChem CID100955641
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN,3,5-triethylpyrazole-1-carbothioamide
SMILESCCNC(=S)n1nc(CC)cc1CC
InChIInChI=1S/C10H17N3S/c1-4-8-7-9(5-2)13(12-8)10(14)11-6-3/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyICMJRLNRQCPLBX-UHFFFAOYSA-N
XLogP1.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-diethylpyrazole-1-carboxamide
CID 91622965
barium(2+);bis(tris(3,5-diethylpyrazol-1-yl)boranuide)
CID 139141227
N,5-diethyl-4-methylpyrazole-1-carbothioamide
CID 123504763
4-(3,5-diethylpyrazol-1-yl)-N-ethylpyridine-2-carboxamide
CID 82698465
3,5-diethyl-1-propylpyrazole
CID 82699697
1-(3,5-diethylpyrazol-1-yl)propan-2-ol
CID 82694148
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
tris(3,5-diethylpyrazol-1-yl) borate
CID 91267043
(5-ethyl-1-methylpyrazol-3-yl)methanol
CID 23005581
1-(3,5-diethylpyrazol-1-yl)butan-2-ol
CID 82694356
2-(3,5-diethylpyrazol-1-yl)-N-prop-2-ynylacetamide
CID 82694483
N-(2-aminoethyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82693464

Frequently Asked Questions

What is the IUPAC name of N,3,5-triethylpyrazole-1-carbothioamide?
The IUPAC name of N,3,5-triethylpyrazole-1-carbothioamide (CID 100955641) is N,3,5-triethylpyrazole-1-carbothioamide.
What is the SMILES notation for N,3,5-triethylpyrazole-1-carbothioamide?
The canonical SMILES for N,3,5-triethylpyrazole-1-carbothioamide is CCNC(=S)n1nc(CC)cc1CC.
What is the InChIKey of N,3,5-triethylpyrazole-1-carbothioamide?
The InChIKey is ICMJRLNRQCPLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-8-7-9(5-2)13(12-8)10(14)11-6-3/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N,3,5-triethylpyrazole-1-carbothioamide?
N,3,5-triethylpyrazole-1-carbothioamide has a molecular weight of 211.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-triethylpyrazole-1-carbothioamide is sourced from PubChem (CID 100955641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).