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

C15H20N4OS — CID 75358483

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NCc2csc(C3CC3)n2)c1C
InChIInChI=1S/C15H20N4OS/c1-4-19-10(3)13(9(2)18-19)14(20)16-7-12-8-21-15(17-12)11-5-6-11/h8,11H,4-7H2,1-3H3,(H,16,20)
InChIKeyMZSTZKWSHNRBGS-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.78
Rot. Bonds5

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

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 75358483) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
PubChem CID75358483
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NCc2csc(C3CC3)n2)c1C
InChIInChI=1S/C15H20N4OS/c1-4-19-10(3)13(9(2)18-19)14(20)16-7-12-8-21-15(17-12)11-5-6-11/h8,11H,4-7H2,1-3H3,(H,16,20)
InChIKeyMZSTZKWSHNRBGS-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide (CID 75358483) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide is CCn1nc(C)c(C(=O)NCc2csc(C3CC3)n2)c1C.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is MZSTZKWSHNRBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-19-10(3)13(9(2)18-19)14(20)16-7-12-8-21-15(17-12)11-5-6-11/h8,11H,4-7H2,1-3H3,(H,16,20).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 75358483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).