1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea

C11H20N4S — CID 19573005

IUPAC1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea
SMILESCc1cnn(CCCNC(=S)NC(C)C)c1
InChIInChI=1S/C11H20N4S/c1-9(2)14-11(16)12-5-4-6-15-8-10(3)7-13-15/h7-9H,4-6H2,1-3H3,(H2,12,14,16)
InChIKeyWFFMQNVMXABRLZ-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.45
Rot. Bonds5

About 1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea

1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea (PubChem CID 19573005) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea
PubChem CID19573005
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea
SMILESCc1cnn(CCCNC(=S)NC(C)C)c1
InChIInChI=1S/C11H20N4S/c1-9(2)14-11(16)12-5-4-6-15-8-10(3)7-13-15/h7-9H,4-6H2,1-3H3,(H2,12,14,16)
InChIKeyWFFMQNVMXABRLZ-UHFFFAOYSA-N
XLogP1.45
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-methylpyrazol-1-yl)propyl]-3-(1-phenylethyl)thiourea
CID 19572963
N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
CID 19328226
1-(3,4-dichlorophenyl)-3-[3-(4-methylpyrazol-1-yl)propyl]thiourea
CID 19572992
2-ethyl-N-[3-(4-methylpyrazol-1-yl)propyl]butanamide
CID 19327956
1-(3-chlorophenyl)-3-[3-(4-methylpyrazol-1-yl)propyl]thiourea
CID 19572965
2-methyl-1-(5-methylhexan-2-yl)-3-[3-(4-methylpyrazol-1-yl)propyl]guanidine
CID 111203428
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 113232733
1-ethyl-2-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125112
1-[2-(difluoromethoxy)-5-methylphenyl]-3-[3-(4-methylpyrazol-1-yl)propyl]thiourea
CID 19572998
2-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]pentan-3-amine
CID 115715289
1-butyl-3-[3-(4-methylpyrazol-1-yl)propanoylamino]thiourea
CID 4163821
(E)-N-[3-(4-methylpyrazol-1-yl)propyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 19327964

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea?
The IUPAC name of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea (CID 19573005) is 1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea.
What is the SMILES notation for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea?
The canonical SMILES for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea is Cc1cnn(CCCNC(=S)NC(C)C)c1.
What is the InChIKey of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea?
The InChIKey is WFFMQNVMXABRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9(2)14-11(16)12-5-4-6-15-8-10(3)7-13-15/h7-9H,4-6H2,1-3H3,(H2,12,14,16).
What are the key properties of 1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea?
1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea has a molecular weight of 240.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpyrazol-1-yl)propyl]-3-propan-2-ylthiourea is sourced from PubChem (CID 19573005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).