1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea

C9H15N5OS — CID 4293605

IUPAC1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)c1cc(C)nn1C
InChIInChI=1S/C9H15N5OS/c1-4-10-9(16)12-11-8(15)7-5-6(2)13-14(7)3/h5H,4H2,1-3H3,(H,11,15)(H2,10,12,16)
InChIKeyDOHJUJPHPXIONX-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.14
Rot. Bonds2

About 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea

1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea (PubChem CID 4293605) has the molecular formula C9H15N5OS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea
PubChem CID4293605
Molecular FormulaC9H15N5OS
Molecular Weight241.32 g/mol
Exact Mass241.10
IUPAC Name1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)c1cc(C)nn1C
InChIInChI=1S/C9H15N5OS/c1-4-10-9(16)12-11-8(15)7-5-6(2)13-14(7)3/h5H,4H2,1-3H3,(H,11,15)(H2,10,12,16)
InChIKeyDOHJUJPHPXIONX-UHFFFAOYSA-N
XLogP-0.14
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-ethylhydrazinecarbothioamide
CID 1767168
1-Butyl-3-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]thiourea
CID 1766431
2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-ethylhydrazinecarbothioamide
CID 1766536
2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-isobutylhydrazinecarbothioamide
CID 1767190
N-butyl-2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]hydrazinecarbothioamide
CID 4230051
2-[(4-bromo-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-cyclohexylhydrazinecarbothioamide
CID 2207011
2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N-ethylhydrazinecarbothioamide
CID 4290547
2-[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]-N-cyclohexylhydrazinecarbothioamide
CID 1231742
1-ethyl-3-methyl-1H-pyrazole-5-carbonyl isothiocyanate
CID 66120676
1,5-dimethyl-1H-pyrazole-3-carbohydrazide
CID 2743273
1-Ethyl-3-methyl-1h-pyrazole-5-carbohydrazide
CID 2744172
7-Mercapto-2-methyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 1132923

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea?
The IUPAC name of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea (CID 4293605) is 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea.
What is the SMILES notation for 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea?
The canonical SMILES for 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea is CCNC(=S)NNC(=O)c1cc(C)nn1C.
What is the InChIKey of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea?
The InChIKey is DOHJUJPHPXIONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5OS/c1-4-10-9(16)12-11-8(15)7-5-6(2)13-14(7)3/h5H,4H2,1-3H3,(H,11,15)(H2,10,12,16).
What are the key properties of 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea?
1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea has a molecular weight of 241.32 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea is sourced from PubChem (CID 4293605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).