5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide

C18H20N4OS — CID 30848806

IUPAC5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(-c2cc(C(=O)NCCCc3ccccc3)n[nH]2)s1
InChIInChI=1S/C18H20N4OS/c1-12-17(24-13(2)20-12)15-11-16(22-21-15)18(23)19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeySTRAKIRRNVFMFT-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.51
Rot. Bonds6

About 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide

5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide (PubChem CID 30848806) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide
PubChem CID30848806
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide
SMILESCc1nc(C)c(-c2cc(C(=O)NCCCc3ccccc3)n[nH]2)s1
InChIInChI=1S/C18H20N4OS/c1-12-17(24-13(2)20-12)15-11-16(22-21-15)18(23)19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,23)(H,21,22)
InChIKeySTRAKIRRNVFMFT-UHFFFAOYSA-N
XLogP3.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide (CID 30848806) is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide is Cc1nc(C)c(-c2cc(C(=O)NCCCc3ccccc3)n[nH]2)s1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is STRAKIRRNVFMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-17(24-13(2)20-12)15-11-16(22-21-15)18(23)19-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide?
5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-phenylpropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 30848806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).