N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide

C22H21N5OS — CID 70833297

IUPACN-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C22H21N5OS/c1-4-26(22-15(2)25-20(29-22)17-9-8-12-23-13-17)21(28)19-14-24-27(16(19)3)18-10-6-5-7-11-18/h5-14H,4H2,1-3H3
InChIKeyLESLGVHWUAEJMF-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.67
Rot. Bonds5

About N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide

N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 70833297) has the molecular formula C22H21N5OS and a molecular weight of 403.51 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID70833297
Molecular FormulaC22H21N5OS
Molecular Weight403.51 g/mol
Exact Mass403.15
IUPAC NameN-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide
SMILESCCN(C(=O)c1cnn(-c2ccccc2)c1C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C22H21N5OS/c1-4-26(22-15(2)25-20(29-22)17-9-8-12-23-13-17)21(28)19-14-24-27(16(19)3)18-10-6-5-7-11-18/h5-14H,4H2,1-3H3
InChIKeyLESLGVHWUAEJMF-UHFFFAOYSA-N
XLogP4.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580635
5-methyl-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 90546458
N-ethyl-2,2,2-trifluoro-N-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 59580833
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202
1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea
CID 110395265
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-phenyltriazole-4-carboxamide
CID 121122163
N-(cyclopropen-1-yl)-5-methyl-N-oxido-1-phenylpyrazole-4-carboxamide
CID 163629755
N-ethyl-5-methyl-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 46481510
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 134060993
N-[2-(diethylamino)-2-oxoethyl]-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 39947866
N-ethyl-N-methyl-4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 126635045
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-ethyl-2-pyridin-4-ylacetamide
CID 59580699

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide (CID 70833297) is N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide is CCN(C(=O)c1cnn(-c2ccccc2)c1C)c1sc(-c2cccnc2)nc1C.
What is the InChIKey of N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is LESLGVHWUAEJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5OS/c1-4-26(22-15(2)25-20(29-22)17-9-8-12-23-13-17)21(28)19-14-24-27(16(19)3)18-10-6-5-7-11-18/h5-14H,4H2,1-3H3.
What are the key properties of N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide?
N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 70833297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).