(3-ethyl-1-methylpyrazol-4-yl)thiourea

C7H12N4S — CID 107462555

IUPAC(3-ethyl-1-methylpyrazol-4-yl)thiourea
SMILESCCc1nn(C)cc1NC(N)=S
InChIInChI=1S/C7H12N4S/c1-3-5-6(9-7(8)12)4-11(2)10-5/h4H,3H2,1-2H3,(H3,8,9,12)
InChIKeyCBPHDOFYGCXKAR-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.64
Rot. Bonds2

About (3-ethyl-1-methylpyrazol-4-yl)thiourea

(3-ethyl-1-methylpyrazol-4-yl)thiourea (PubChem CID 107462555) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is (3-ethyl-1-methylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name(3-ethyl-1-methylpyrazol-4-yl)thiourea
PubChem CID107462555
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name(3-ethyl-1-methylpyrazol-4-yl)thiourea
SMILESCCc1nn(C)cc1NC(N)=S
InChIInChI=1S/C7H12N4S/c1-3-5-6(9-7(8)12)4-11(2)10-5/h4H,3H2,1-2H3,(H3,8,9,12)
InChIKeyCBPHDOFYGCXKAR-UHFFFAOYSA-N
XLogP0.64
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 ≤ 50.64
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-(3-ethyl-1-methylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 107463267
2-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)guanidine
CID 107463459
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
methyl (2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)amino]propanoate
CID 124679700
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methoxypropanamide
CID 107463127
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-methylbutanamide
CID 107463141
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbutanamide
CID 107463044
2-amino-N-[2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-2-oxoethyl]acetamide
CID 107463145
4-amino-N-(3-ethyl-1-methylpyrazol-4-yl)benzamide
CID 113369006
N-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 103908575
2-bromo-6-[(3-ethyl-1-methylpyrazol-4-yl)amino]benzenecarbothioamide
CID 107463322
3-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463077

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)thiourea?
The IUPAC name of (3-ethyl-1-methylpyrazol-4-yl)thiourea (CID 107462555) is (3-ethyl-1-methylpyrazol-4-yl)thiourea.
What is the SMILES notation for (3-ethyl-1-methylpyrazol-4-yl)thiourea?
The canonical SMILES for (3-ethyl-1-methylpyrazol-4-yl)thiourea is CCc1nn(C)cc1NC(N)=S.
What is the InChIKey of (3-ethyl-1-methylpyrazol-4-yl)thiourea?
The InChIKey is CBPHDOFYGCXKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-3-5-6(9-7(8)12)4-11(2)10-5/h4H,3H2,1-2H3,(H3,8,9,12).
What are the key properties of (3-ethyl-1-methylpyrazol-4-yl)thiourea?
(3-ethyl-1-methylpyrazol-4-yl)thiourea has a molecular weight of 184.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-methylpyrazol-4-yl)thiourea is sourced from PubChem (CID 107462555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).