1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea

C11H17N5OS — CID 4775106

IUPAC1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea
SMILESCc1cnn(CCC(=O)NNC(=S)NC2CC2)c1
InChIInChI=1S/C11H17N5OS/c1-8-6-12-16(7-8)5-4-10(17)14-15-11(18)13-9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,17)(H2,13,15,18)
InChIKeyJVEHNLMJWFMOBF-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.24
Rot. Bonds4

About 1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea

1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea (PubChem CID 4775106) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea
PubChem CID4775106
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea
SMILESCc1cnn(CCC(=O)NNC(=S)NC2CC2)c1
InChIInChI=1S/C11H17N5OS/c1-8-6-12-16(7-8)5-4-10(17)14-15-11(18)13-9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,17)(H2,13,15,18)
InChIKeyJVEHNLMJWFMOBF-UHFFFAOYSA-N
XLogP0.24
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.24
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea?
The IUPAC name of 1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea (CID 4775106) is 1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea is Cc1cnn(CCC(=O)NNC(=S)NC2CC2)c1.
What is the InChIKey of 1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea?
The InChIKey is JVEHNLMJWFMOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-8-6-12-16(7-8)5-4-10(17)14-15-11(18)13-9-2-3-9/h6-7,9H,2-5H2,1H3,(H,14,17)(H2,13,15,18).
What are the key properties of 1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea?
1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea has a molecular weight of 267.36 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea is sourced from PubChem (CID 4775106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).