1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea

C8H14N4S — CID 19326815

IUPAC1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea
SMILESCCNC(=S)NCc1ccnn1C
InChIInChI=1S/C8H14N4S/c1-3-9-8(13)10-6-7-4-5-11-12(7)2/h4-5H,3,6H2,1-2H3,(H2,9,10,13)
InChIKeyLPNJGXGBMDVCRD-UHFFFAOYSA-N
MW198.29 g/mol
LogP0.40
Rot. Bonds3

About 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea

1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea (PubChem CID 19326815) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea.

Molecular Properties

Compound Name1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea
PubChem CID19326815
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea
SMILESCCNC(=S)NCc1ccnn1C
InChIInChI=1S/C8H14N4S/c1-3-9-8(13)10-6-7-4-5-11-12(7)2/h4-5H,3,6H2,1-2H3,(H2,9,10,13)
InChIKeyLPNJGXGBMDVCRD-UHFFFAOYSA-N
XLogP0.40
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.40
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

1-[(2-methylpyrazol-3-yl)methyl]-3-phenylthiourea
CID 19326795
1-ethyl-2,3-bis[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111953417
1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 19326845
1-(1-methoxypropan-2-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 115583338
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
2-benzyl-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 110953727
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 104693337
2-methyl-1-[(2-methylpyrazol-3-yl)methyl]-3-propylguanidine
CID 111226466
1-ethyl-3-[(1-methylpyrazol-3-yl)methyl]thiourea
CID 19571839
1-amino-3-[2-(2-methylpyrazol-3-yl)ethyl]thiourea
CID 103008072

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
The IUPAC name of 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea (CID 19326815) is 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea.
What is the SMILES notation for 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
The canonical SMILES for 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea is CCNC(=S)NCc1ccnn1C.
What is the InChIKey of 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
The InChIKey is LPNJGXGBMDVCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-3-9-8(13)10-6-7-4-5-11-12(7)2/h4-5H,3,6H2,1-2H3,(H2,9,10,13).
What are the key properties of 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea?
1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea has a molecular weight of 198.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]thiourea is sourced from PubChem (CID 19326815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).