N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide

C11H14N4OS — CID 19281181

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2nc(C)c(C)s2)cn1
InChIInChI=1S/C11H14N4OS/c1-4-15-6-9(5-12-15)10(16)14-11-13-7(2)8(3)17-11/h5-6H,4H2,1-3H3,(H,13,14,16)
InChIKeyOVMNOGWXCOHXOM-UHFFFAOYSA-N
MW250.33 g/mol
LogP2.23
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide (PubChem CID 19281181) has the molecular formula C11H14N4OS and a molecular weight of 250.33 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide
PubChem CID19281181
Molecular FormulaC11H14N4OS
Molecular Weight250.33 g/mol
Exact Mass250.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2nc(C)c(C)s2)cn1
InChIInChI=1S/C11H14N4OS/c1-4-15-6-9(5-12-15)10(16)14-11-13-7(2)8(3)17-11/h5-6H,4H2,1-3H3,(H,13,14,16)
InChIKeyOVMNOGWXCOHXOM-UHFFFAOYSA-N
XLogP2.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide (CID 19281181) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide is CCn1cc(C(=O)Nc2nc(C)c(C)s2)cn1.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide?
The InChIKey is OVMNOGWXCOHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS/c1-4-15-6-9(5-12-15)10(16)14-11-13-7(2)8(3)17-11/h5-6H,4H2,1-3H3,(H,13,14,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide has a molecular weight of 250.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 19281181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).