N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

C18H17N5O3S — CID 134397038

IUPACN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nccs1
InChIInChI=1S/C18H17N5O3S/c1-11-9-14(22-23(11)18-20-7-8-27-18)17(26)21-13(15(24)16(19)25)10-12-5-3-2-4-6-12/h2-9,13H,10H2,1H3,(H2,19,25)(H,21,26)
InChIKeyUQGQZFMOGMJUFD-UHFFFAOYSA-N
MW383.43 g/mol
LogP1.03
Rot. Bonds7

About N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (PubChem CID 134397038) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
PubChem CID134397038
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC NameN-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nccs1
InChIInChI=1S/C18H17N5O3S/c1-11-9-14(22-23(11)18-20-7-8-27-18)17(26)21-13(15(24)16(19)25)10-12-5-3-2-4-6-12/h2-9,13H,10H2,1H3,(H2,19,25)(H,21,26)
InChIKeyUQGQZFMOGMJUFD-UHFFFAOYSA-N
XLogP1.03
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-1-(2-chloropyrimidin-4-yl)-5-methylpyrazole-3-carboxamide
CID 142317186
(2S)-2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 119366410
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 142753808
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-(2-chlorothiophen-3-yl)-1-methylpyrazole-4-carboxamide
CID 134397631
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-2-(3-methylphenyl)pyrazole-3-carboxamide
CID 165387000
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-(6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 142753634
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-3-chloro-1-phenylpyrazole-5-carboxamide
CID 142753520
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-pyridin-2-ylimidazole-2-carboxamide
CID 153484149
1-(2-fluorophenyl)-5-methyl-N-[3-methyl-1-(1,3-thiazol-2-yl)butyl]pyrazole-3-carboxamide
CID 110628623
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-5-methyl-2-[4-(phenylmethoxymethyl)phenyl]pyrazole-3-carboxamide
CID 142753807
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[4-[(benzylamino)methyl]phenyl]-5-methylpyrazole-3-carboxamide
CID 134397170
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-3-benzyl-1-methylpyrazole-4-carboxamide
CID 134396806

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide (CID 134397038) is N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is Cc1cc(C(=O)NC(Cc2ccccc2)C(=O)C(N)=O)nn1-c1nccs1.
What is the InChIKey of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is UQGQZFMOGMJUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c1-11-9-14(22-23(11)18-20-7-8-27-18)17(26)21-13(15(24)16(19)25)10-12-5-3-2-4-6-12/h2-9,13H,10H2,1H3,(H2,19,25)(H,21,26).
What are the key properties of N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide?
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methyl-1-(1,3-thiazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 134397038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).