N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine

C11H16N4S — CID 82878910

IUPACN-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2nccs2)c1C
InChIInChI=1S/C11H16N4S/c1-3-4-12-7-10-8-14-15(9(10)2)11-13-5-6-16-11/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyGUPAVNQCXOCYGC-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.14
Rot. Bonds5

About N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine

N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 82878910) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID82878910
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC NameN-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2nccs2)c1C
InChIInChI=1S/C11H16N4S/c1-3-4-12-7-10-8-14-15(9(10)2)11-13-5-6-16-11/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyGUPAVNQCXOCYGC-UHFFFAOYSA-N
XLogP2.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine (CID 82878910) is N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(-c2nccs2)c1C.
What is the InChIKey of N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is GUPAVNQCXOCYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-3-4-12-7-10-8-14-15(9(10)2)11-13-5-6-16-11/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 82878910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).