1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea

C9H16N4OS — CID 19343258

IUPAC1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1cnn(C)c1C
InChIInChI=1S/C9H16N4OS/c1-7-8(6-11-13(7)2)12-9(15)10-4-5-14-3/h6H,4-5H2,1-3H3,(H2,10,12,15)
InChIKeyNJLYGTMSBWDHEN-UHFFFAOYSA-N
MW228.32 g/mol
LogP0.66
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea

1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea (PubChem CID 19343258) has the molecular formula C9H16N4OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea
PubChem CID19343258
Molecular FormulaC9H16N4OS
Molecular Weight228.32 g/mol
Exact Mass228.10
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)Nc1cnn(C)c1C
InChIInChI=1S/C9H16N4OS/c1-7-8(6-11-13(7)2)12-9(15)10-4-5-14-3/h6H,4-5H2,1-3H3,(H2,10,12,15)
InChIKeyNJLYGTMSBWDHEN-UHFFFAOYSA-N
XLogP0.66
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 50.66
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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Related Compounds

(1,5-dimethylpyrazol-4-yl)thiourea
CID 7176013
1-(1,5-dimethylpyrazol-4-yl)-3-[(2-methylpyrazol-3-yl)methyl]thiourea
CID 19326845
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 19324710
1-(2-methoxyethyl)-3-(2-methylphenyl)thiourea
CID 2253001
1-(1,5-dimethylpyrazol-4-yl)-3-(2-methylphenyl)thiourea
CID 17264839
1-(2-hydroxy-5-methylphenyl)-3-(2-methoxyethyl)thiourea
CID 17285016
1-butyl-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
CID 19344521
1-(1,5-dimethylpyrazol-4-yl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17375392
1-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-(1,5-dimethylpyrazol-4-yl)thiourea
CID 19342398
N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 19399796
1-[1-(ethoxymethyl)pyrazol-4-yl]-3-(2-methoxyethyl)thiourea
CID 19445962
1-(3-methoxypropyl)-3-(4-methyl-3-pyridinyl)thiourea
CID 115612153

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea (CID 19343258) is 1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea is COCCNC(=S)Nc1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea?
The InChIKey is NJLYGTMSBWDHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4OS/c1-7-8(6-11-13(7)2)12-9(15)10-4-5-14-3/h6H,4-5H2,1-3H3,(H2,10,12,15).
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea?
1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea has a molecular weight of 228.32 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 19343258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).