1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea

C10H15N5OS — CID 4775232

IUPAC1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea
SMILESCc1ccn(CC(=O)NNC(=S)NC2CC2)n1
InChIInChI=1S/C10H15N5OS/c1-7-4-5-15(14-7)6-9(16)12-13-10(17)11-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,16)(H2,11,13,17)
InChIKeyFYNVDULBPNRDTN-UHFFFAOYSA-N
MW253.33 g/mol
LogP-0.15
Rot. Bonds3

About 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea

1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea (PubChem CID 4775232) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea
PubChem CID4775232
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea
SMILESCc1ccn(CC(=O)NNC(=S)NC2CC2)n1
InChIInChI=1S/C10H15N5OS/c1-7-4-5-15(14-7)6-9(16)12-13-10(17)11-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,16)(H2,11,13,17)
InChIKeyFYNVDULBPNRDTN-UHFFFAOYSA-N
XLogP-0.15
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 5-0.15
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'}

Analyze 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea?
The IUPAC name of 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea (CID 4775232) is 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea is Cc1ccn(CC(=O)NNC(=S)NC2CC2)n1.
What is the InChIKey of 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea?
The InChIKey is FYNVDULBPNRDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-7-4-5-15(14-7)6-9(16)12-13-10(17)11-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,16)(H2,11,13,17).
What are the key properties of 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea?
1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea has a molecular weight of 253.33 g/mol, XLogP of -0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[2-(3-methylpyrazol-1-yl)acetyl]amino]thiourea is sourced from PubChem (CID 4775232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).