5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide

C18H19N5OS — CID 146126484

IUPAC5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1C1CC1
InChIInChI=1S/C18H19N5OS/c1-23-16(12-5-6-12)10-14(22-23)18(24)20-9-7-17-21-15(11-25-17)13-4-2-3-8-19-13/h2-4,8,10-12H,5-7,9H2,1H3,(H,20,24)
InChIKeyADMOHMVYKNYRSJ-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.79
Rot. Bonds6

About 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide

5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 146126484) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide
PubChem CID146126484
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1C1CC1
InChIInChI=1S/C18H19N5OS/c1-23-16(12-5-6-12)10-14(22-23)18(24)20-9-7-17-21-15(11-25-17)13-4-2-3-8-19-13/h2-4,8,10-12H,5-7,9H2,1H3,(H,20,24)
InChIKeyADMOHMVYKNYRSJ-UHFFFAOYSA-N
XLogP2.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide (CID 146126484) is 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide is Cn1nc(C(=O)NCCc2nc(-c3ccccn3)cs2)cc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is ADMOHMVYKNYRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-23-16(12-5-6-12)10-14(22-23)18(24)20-9-7-17-21-15(11-25-17)13-4-2-3-8-19-13/h2-4,8,10-12H,5-7,9H2,1H3,(H,20,24).
What are the key properties of 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?
5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-methyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 146126484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).