1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea

C10H17N5OS — CID 4290547

IUPAC1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C10H17N5OS/c1-4-11-10(17)13-12-9(16)6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,12,16)(H2,11,13,17)
InChIKeyOIZIGWFSGCQCQK-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.02
Rot. Bonds3

About 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea

1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea (PubChem CID 4290547) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea.

Molecular Properties

Compound Name1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
PubChem CID4290547
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
SMILESCCNC(=S)NNC(=O)Cn1nc(C)cc1C
InChIInChI=1S/C10H17N5OS/c1-4-11-10(17)13-12-9(16)6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,12,16)(H2,11,13,17)
InChIKeyOIZIGWFSGCQCQK-UHFFFAOYSA-N
XLogP0.02
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.02
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

1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
1-[(E)-[(3E)-1-(3,5-dimethylpyrazol-1-yl)-3-(ethylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]-3-ethylthiourea
CID 162740731
1-(3-chloro-4-fluorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786354
N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26614008
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)acetamide
CID 573590
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
N-(2-aminopropyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 63733136
3,5-dichloro-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 26613962
2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120654961
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)ethyl]acetamide
CID 62659650
2-(3,5-dimethylpyrazol-1-yl)-N-(2-sulfanylethyl)acetamide
CID 19525804
4-tert-butyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 9416710

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea?
The IUPAC name of 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea (CID 4290547) is 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea.
What is the SMILES notation for 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea?
The canonical SMILES for 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea is CCNC(=S)NNC(=O)Cn1nc(C)cc1C.
What is the InChIKey of 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea?
The InChIKey is OIZIGWFSGCQCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-4-11-10(17)13-12-9(16)6-15-8(3)5-7(2)14-15/h5H,4,6H2,1-3H3,(H,12,16)(H2,11,13,17).
What are the key properties of 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea?
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea has a molecular weight of 255.35 g/mol, XLogP of 0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea is sourced from PubChem (CID 4290547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).