5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide

C18H20N4OS — CID 30848808

IUPAC5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc(-c3sc(C)nc3C)[nH]n2)cc1
InChIInChI=1S/C18H20N4OS/c1-4-13-5-7-14(8-6-13)10-19-18(23)16-9-15(21-22-16)17-11(2)20-12(3)24-17/h5-9H,4,10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyBNNQREHHEUJIGX-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.64
Rot. Bonds5

About 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide

5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 30848808) 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-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID30848808
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2cc(-c3sc(C)nc3C)[nH]n2)cc1
InChIInChI=1S/C18H20N4OS/c1-4-13-5-7-14(8-6-13)10-19-18(23)16-9-15(21-22-16)17-11(2)20-12(3)24-17/h5-9H,4,10H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyBNNQREHHEUJIGX-UHFFFAOYSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 30848808) is 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide is CCc1ccc(CNC(=O)c2cc(-c3sc(C)nc3C)[nH]n2)cc1.
What is the InChIKey of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is BNNQREHHEUJIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-4-13-5-7-14(8-6-13)10-19-18(23)16-9-15(21-22-16)17-11(2)20-12(3)24-17/h5-9H,4,10H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide?
5-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.64, 5 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-[(4-ethylphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 30848808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).