1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea

C10H18N4S — CID 19326874

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCc1cc(C)nn1C
InChIInChI=1S/C10H18N4S/c1-4-5-11-10(15)12-7-9-6-8(2)13-14(9)3/h6H,4-5,7H2,1-3H3,(H2,11,12,15)
InChIKeyCJSGFZRDIFECMH-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.10
Rot. Bonds4

About 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea

1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea (PubChem CID 19326874) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea
PubChem CID19326874
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea
SMILESCCCNC(=S)NCc1cc(C)nn1C
InChIInChI=1S/C10H18N4S/c1-4-5-11-10(15)12-7-9-6-8(2)13-14(9)3/h6H,4-5,7H2,1-3H3,(H2,11,12,15)
InChIKeyCJSGFZRDIFECMH-UHFFFAOYSA-N
XLogP1.10
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(diethylamino)propyl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 19326860
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-(4-nitrophenyl)thiourea
CID 19326850
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 131005414
1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine
CID 131114979
3-[2-[(2,5-dimethylpyrazol-3-yl)methylamino]ethyl]-1,1-dimethylurea
CID 83121189
1-[2-(difluoromethoxy)phenyl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 19326891
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propylthiourea
CID 115587578
1-(2,5-dimethylpyrazol-3-yl)-3-propylurea
CID 115581840
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-propylthiourea
CID 19324952
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 19326899
1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol
CID 106293010

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea (CID 19326874) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea is CCCNC(=S)NCc1cc(C)nn1C.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea?
The InChIKey is CJSGFZRDIFECMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-4-5-11-10(15)12-7-9-6-8(2)13-14(9)3/h6H,4-5,7H2,1-3H3,(H2,11,12,15).
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea has a molecular weight of 226.35 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-propylthiourea is sourced from PubChem (CID 19326874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).