1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea

C10H18N4O2S — CID 19445962

IUPAC1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea
SMILESCCOCn1cc(NC(=S)NCCOC)cn1
InChIInChI=1S/C10H18N4O2S/c1-3-16-8-14-7-9(6-12-14)13-10(17)11-4-5-15-2/h6-7H,3-5,8H2,1-2H3,(H2,11,13,17)
InChIKeyDQFYIGYCVFSEEJ-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.81
Rot. Bonds7

About 1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea

1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea (PubChem CID 19445962) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea
PubChem CID19445962
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea
SMILESCCOCn1cc(NC(=S)NCCOC)cn1
InChIInChI=1S/C10H18N4O2S/c1-3-16-8-14-7-9(6-12-14)13-10(17)11-4-5-15-2/h6-7H,3-5,8H2,1-2H3,(H2,11,13,17)
InChIKeyDQFYIGYCVFSEEJ-UHFFFAOYSA-N
XLogP0.81
TPSA60.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-3-(1-ethylpyrazol-4-yl)thiourea
CID 115590234
1-butyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 113226469
1-[1-(ethoxymethyl)pyrazol-4-yl]-3-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]thiourea
CID 19445967
1-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-3-(3-methoxypropyl)thiourea
CID 19445813
1-ethyl-3-[1-(2-methoxyethyl)pyrazol-4-yl]thiourea
CID 115590262
1-butyl-3-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]thiourea
CID 19445996
1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)thiourea
CID 19583437
1-(3-chlorophenyl)-3-[1-(ethoxymethyl)pyrazol-4-yl]thiourea
CID 19445925
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-methylpyrazole-3-carboxamide
CID 19262670
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxypropyl)thiourea
CID 19344076
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-[1-(ethoxymethyl)pyrazol-4-yl]thiourea
CID 19445972
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-(methoxymethyl)pyrazol-4-yl]thiourea
CID 19445663

Frequently Asked Questions

What is the IUPAC name of 1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea (CID 19445962) is 1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea is CCOCn1cc(NC(=S)NCCOC)cn1.
What is the InChIKey of 1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea?
The InChIKey is DQFYIGYCVFSEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-3-16-8-14-7-9(6-12-14)13-10(17)11-4-5-15-2/h6-7H,3-5,8H2,1-2H3,(H2,11,13,17).
What are the key properties of 1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea?
1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea has a molecular weight of 258.35 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 19445962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).