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

C14H18N4OS — CID 75358486

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2csc(C3CC3)n2)c(C)n1
InChIInChI=1S/C14H18N4OS/c1-3-18-7-12(9(2)17-18)13(19)15-6-11-8-20-14(16-11)10-4-5-10/h7-8,10H,3-6H2,1-2H3,(H,15,19)
InChIKeyKYYCOUOWOJPUPL-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.48
Rot. Bonds5

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

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide (PubChem CID 75358486) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide
PubChem CID75358486
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)NCc2csc(C3CC3)n2)c(C)n1
InChIInChI=1S/C14H18N4OS/c1-3-18-7-12(9(2)17-18)13(19)15-6-11-8-20-14(16-11)10-4-5-10/h7-8,10H,3-6H2,1-2H3,(H,15,19)
InChIKeyKYYCOUOWOJPUPL-UHFFFAOYSA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide (CID 75358486) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide is CCn1cc(C(=O)NCc2csc(C3CC3)n2)c(C)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
The InChIKey is KYYCOUOWOJPUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-18-7-12(9(2)17-18)13(19)15-6-11-8-20-14(16-11)10-4-5-10/h7-8,10H,3-6H2,1-2H3,(H,15,19).
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-ethyl-3-methylpyrazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.48, 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-methylpyrazole-4-carboxamide is sourced from PubChem (CID 75358486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).