4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide

C21H23N5O2S — CID 71288604

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCc1sc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C21H23N5O2S/c1-14-17(24-20(29-14)15-7-4-3-5-8-15)9-10-22-19(27)18-16(13-23-25(18)2)21(28)26-11-6-12-26/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,22,27)
InChIKeySCNIATZKXUDFPJ-UHFFFAOYSA-N
MW409.52 g/mol
LogP2.67
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71288604) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71288604
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCc1sc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C21H23N5O2S/c1-14-17(24-20(29-14)15-7-4-3-5-8-15)9-10-22-19(27)18-16(13-23-25(18)2)21(28)26-11-6-12-26/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,22,27)
InChIKeySCNIATZKXUDFPJ-UHFFFAOYSA-N
XLogP2.67
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide (CID 71288604) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide is Cc1sc(-c2ccccc2)nc1CCNC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is SCNIATZKXUDFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-14-17(24-20(29-14)15-7-4-3-5-8-15)9-10-22-19(27)18-16(13-23-25(18)2)21(28)26-11-6-12-26/h3-5,7-8,13H,6,9-12H2,1-2H3,(H,22,27).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 409.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).