(1,5-dimethylpyrazol-4-yl)methylthiourea

C7H12N4S — CID 106032933

IUPAC(1,5-dimethylpyrazol-4-yl)methylthiourea
SMILESCc1c(CNC(N)=S)cnn1C
InChIInChI=1S/C7H12N4S/c1-5-6(3-9-7(8)12)4-10-11(5)2/h4H,3H2,1-2H3,(H3,8,9,12)
InChIKeyUEHFYAKZLSNUHL-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.06
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)methylthiourea

(1,5-dimethylpyrazol-4-yl)methylthiourea (PubChem CID 106032933) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)methylthiourea.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)methylthiourea
PubChem CID106032933
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name(1,5-dimethylpyrazol-4-yl)methylthiourea
SMILESCc1c(CNC(N)=S)cnn1C
InChIInChI=1S/C7H12N4S/c1-5-6(3-9-7(8)12)4-10-11(5)2/h4H,3H2,1-2H3,(H3,8,9,12)
InChIKeyUEHFYAKZLSNUHL-UHFFFAOYSA-N
XLogP0.06
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106035269
2-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 106035313
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
1-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 106035310
5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 106035328
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
CID 118118791
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]benzenecarbothioamide
CID 106035645
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 19324710
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)methylthiourea?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)methylthiourea (CID 106032933) is (1,5-dimethylpyrazol-4-yl)methylthiourea.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)methylthiourea?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)methylthiourea is Cc1c(CNC(N)=S)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)methylthiourea?
The InChIKey is UEHFYAKZLSNUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-5-6(3-9-7(8)12)4-10-11(5)2/h4H,3H2,1-2H3,(H3,8,9,12).
What are the key properties of (1,5-dimethylpyrazol-4-yl)methylthiourea?
(1,5-dimethylpyrazol-4-yl)methylthiourea has a molecular weight of 184.27 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)methylthiourea is sourced from PubChem (CID 106032933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).