N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

C21H23N5O3S — CID 46427415

IUPACN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cnn1-c1ccccn1
InChIInChI=1S/C21H23N5O3S/c1-15(2)20-18(14-23-26(20)19-6-3-4-11-22-19)21(27)24-16-7-9-17(10-8-16)25-12-5-13-30(25,28)29/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,24,27)
InChIKeyNHUNZZWAMDRKMR-UHFFFAOYSA-N
MW425.51 g/mol
LogP3.18
Rot. Bonds5

About N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 46427415) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID46427415
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cnn1-c1ccccn1
InChIInChI=1S/C21H23N5O3S/c1-15(2)20-18(14-23-26(20)19-6-3-4-11-22-19)21(27)24-16-7-9-17(10-8-16)25-12-5-13-30(25,28)29/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,24,27)
InChIKeyNHUNZZWAMDRKMR-UHFFFAOYSA-N
XLogP3.18
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

S-[4-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]phenyl] N,N-dimethylcarbamothioate
CID 56579701
2-(dimethylamino)-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]pyridine-3-carboxamide
CID 110303537
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-2-pyrazol-1-ylbenzamide
CID 47037218
N-[4-(dimethylamino)-3-methylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55672662
N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 56583372
N-cyclopent-3-en-1-yl-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 126813900
N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55666499
N-[4-(1,1-dioxothiazinan-2-yl)phenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53370669
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-phenyl-4-[(5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 55909796
N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39892892
N-(8-methylquinolin-5-yl)-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 46427415) is N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is CC(C)c1c(C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)cnn1-c1ccccn1.
What is the InChIKey of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is NHUNZZWAMDRKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-15(2)20-18(14-23-26(20)19-6-3-4-11-22-19)21(27)24-16-7-9-17(10-8-16)25-12-5-13-30(25,28)29/h3-4,6-11,14-15H,5,12-13H2,1-2H3,(H,24,27).
What are the key properties of N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 46427415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).