N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide

C15H20N4O2S — CID 128968066

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cn(C)nc2C2CCOC2)sc1C
InChIInChI=1S/C15H20N4O2S/c1-9-10(2)22-13(17-9)6-16-15(20)12-7-19(3)18-14(12)11-4-5-21-8-11/h7,11H,4-6,8H2,1-3H3,(H,16,20)
InChIKeyZOUOUDKNKDFWSD-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.93
Rot. Bonds4

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 128968066) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID128968066
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1nc(CNC(=O)c2cn(C)nc2C2CCOC2)sc1C
InChIInChI=1S/C15H20N4O2S/c1-9-10(2)22-13(17-9)6-16-15(20)12-7-19(3)18-14(12)11-4-5-21-8-11/h7,11H,4-6,8H2,1-3H3,(H,16,20)
InChIKeyZOUOUDKNKDFWSD-UHFFFAOYSA-N
XLogP1.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide (CID 128968066) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide is Cc1nc(CNC(=O)c2cn(C)nc2C2CCOC2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is ZOUOUDKNKDFWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9-10(2)22-13(17-9)6-16-15(20)12-7-19(3)18-14(12)11-4-5-21-8-11/h7,11H,4-6,8H2,1-3H3,(H,16,20).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 320.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 128968066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).