1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea

C14H19F2N7OS — CID 4777138

IUPAC1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
SMILESCCn1ncc(NC(=S)NNC(=O)Cn2nc(C(F)F)cc2C)c1C
InChIInChI=1S/C14H19F2N7OS/c1-4-22-9(3)11(6-17-22)18-14(25)20-19-12(24)7-23-8(2)5-10(21-23)13(15)16/h5-6,13H,4,7H2,1-3H3,(H,19,24)(H2,18,20,25)
InChIKeyIAZZUJGBPMAEPG-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.67
Rot. Bonds5

About 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea

1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea (PubChem CID 4777138) has the molecular formula C14H19F2N7OS and a molecular weight of 371.42 g/mol. Its IUPAC name is 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea.

Molecular Properties

Compound Name1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
PubChem CID4777138
Molecular FormulaC14H19F2N7OS
Molecular Weight371.42 g/mol
Exact Mass371.13
IUPAC Name1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
SMILESCCn1ncc(NC(=S)NNC(=O)Cn2nc(C(F)F)cc2C)c1C
InChIInChI=1S/C14H19F2N7OS/c1-4-22-9(3)11(6-17-22)18-14(25)20-19-12(24)7-23-8(2)5-10(21-23)13(15)16/h5-6,13H,4,7H2,1-3H3,(H,19,24)(H2,18,20,25)
InChIKeyIAZZUJGBPMAEPG-UHFFFAOYSA-N
XLogP1.67
TPSA88.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19519602
1-[3-(4-chloropyrazol-1-yl)propanoylamino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
CID 4777126
methyl 4-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342183
1-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-ethylthiourea
CID 4290547
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-hexylacetamide
CID 19523586
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19283452
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]acetamide
CID 19520306
1-(4-chlorophenyl)-3-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiourea
CID 8786332
1-butyl-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea
CID 19344521
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-ethyl-5-methylpyrazol-4-yl)acetamide
CID 19523480
N-(1-benzyl-5-methylpyrazol-3-yl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetamide
CID 19337554
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 19519463

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?
The IUPAC name of 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea (CID 4777138) is 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea.
What is the SMILES notation for 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?
The canonical SMILES for 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is CCn1ncc(NC(=S)NNC(=O)Cn2nc(C(F)F)cc2C)c1C.
What is the InChIKey of 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?
The InChIKey is IAZZUJGBPMAEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N7OS/c1-4-22-9(3)11(6-17-22)18-14(25)20-19-12(24)7-23-8(2)5-10(21-23)13(15)16/h5-6,13H,4,7H2,1-3H3,(H,19,24)(H2,18,20,25).
What are the key properties of 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea?
1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea has a molecular weight of 371.42 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]-3-(1-ethyl-5-methylpyrazol-4-yl)thiourea is sourced from PubChem (CID 4777138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).