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

C17H20N6OS — CID 50979951

IUPAC1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2csc(-c3ncccn3)n2)n(C)n1
InChIInChI=1S/C17H20N6OS/c1-11(2)13-9-14(23(3)22-13)16(24)20-8-5-12-10-25-17(21-12)15-18-6-4-7-19-15/h4,6-7,9-11H,5,8H2,1-3H3,(H,20,24)
InChIKeyPDEXCHIULACXIN-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.43
Rot. Bonds6

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

1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 50979951) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
PubChem CID50979951
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2csc(-c3ncccn3)n2)n(C)n1
InChIInChI=1S/C17H20N6OS/c1-11(2)13-9-14(23(3)22-13)16(24)20-8-5-12-10-25-17(21-12)15-18-6-4-7-19-15/h4,6-7,9-11H,5,8H2,1-3H3,(H,20,24)
InChIKeyPDEXCHIULACXIN-UHFFFAOYSA-N
XLogP2.43
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide (CID 50979951) is 1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCCc2csc(-c3ncccn3)n2)n(C)n1.
What is the InChIKey of 1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is PDEXCHIULACXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-11(2)13-9-14(23(3)22-13)16(24)20-8-5-12-10-25-17(21-12)15-18-6-4-7-19-15/h4,6-7,9-11H,5,8H2,1-3H3,(H,20,24).
What are the key properties of 1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide?
1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 50979951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).