1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea

C10H18N4OS — CID 19326956

IUPAC1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea
SMILESCCn1nccc1CNC(=S)NCCOC
InChIInChI=1S/C10H18N4OS/c1-3-14-9(4-5-13-14)8-12-10(16)11-6-7-15-2/h4-5H,3,6-8H2,1-2H3,(H2,11,12,16)
InChIKeyAXEHNOZBWGTZFB-UHFFFAOYSA-N
MW242.35 g/mol
LogP0.51
Rot. Bonds6

About 1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea

1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea (PubChem CID 19326956) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea
PubChem CID19326956
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea
SMILESCCn1nccc1CNC(=S)NCCOC
InChIInChI=1S/C10H18N4OS/c1-3-14-9(4-5-13-14)8-12-10(16)11-6-7-15-2/h4-5H,3,6-8H2,1-2H3,(H2,11,12,16)
InChIKeyAXEHNOZBWGTZFB-UHFFFAOYSA-N
XLogP0.51
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea (CID 19326956) is 1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea is CCn1nccc1CNC(=S)NCCOC.
What is the InChIKey of 1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea?
The InChIKey is AXEHNOZBWGTZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-14-9(4-5-13-14)8-12-10(16)11-6-7-15-2/h4-5H,3,6-8H2,1-2H3,(H2,11,12,16).
What are the key properties of 1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea?
1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea has a molecular weight of 242.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 19326956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).