N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

C16H17N5O2S — CID 91765548

IUPACN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)cs1
InChIInChI=1S/C16H17N5O2S/c1-20(2)16-18-11(10-24-16)9-17-15(23)13-8-14(22)21(19-13)12-6-4-3-5-7-12/h3-8,10,19H,9H2,1-2H3,(H,17,23)
InChIKeyFOXCSARSIZLNJP-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.62
Rot. Bonds5

About N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide

N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 91765548) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
PubChem CID91765548
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C)c1nc(CNC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)cs1
InChIInChI=1S/C16H17N5O2S/c1-20(2)16-18-11(10-24-16)9-17-15(23)13-8-14(22)21(19-13)12-6-4-3-5-7-12/h3-8,10,19H,9H2,1-2H3,(H,17,23)
InChIKeyFOXCSARSIZLNJP-UHFFFAOYSA-N
XLogP1.62
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-oxo-2-phenyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91771220
N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 54252922
3-oxo-2-phenyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrazole-5-carboxamide
CID 91787668
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 56902393
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(hydroxymethyl)benzamide
CID 154759022
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025648
N-[2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]ethyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 99937966
3-(2-methylphenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 78071828
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 70708439
3-(3,5-difluorophenyl)-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90093608
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(4-hydroxyphenyl)propanamide
CID 86791470

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide (CID 91765548) is N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is CN(C)c1nc(CNC(=O)c2cc(=O)n(-c3ccccc3)[nH]2)cs1.
What is the InChIKey of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is FOXCSARSIZLNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-20(2)16-18-11(10-24-16)9-17-15(23)13-8-14(22)21(19-13)12-6-4-3-5-7-12/h3-8,10,19H,9H2,1-2H3,(H,17,23).
What are the key properties of N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide?
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91765548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).