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

C13H19N5OS — CID 66123315

IUPAC4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C13H19N5OS/c1-5-18-12(11(14)8(2)16-18)13(19)17(4)6-10-7-20-9(3)15-10/h7H,5-6,14H2,1-4H3
InChIKeyKMJUBLARHUZGJF-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.83
Rot. Bonds4

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

4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide (PubChem CID 66123315) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
PubChem CID66123315
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(C)Cc1csc(C)n1
InChIInChI=1S/C13H19N5OS/c1-5-18-12(11(14)8(2)16-18)13(19)17(4)6-10-7-20-9(3)15-10/h7H,5-6,14H2,1-4H3
InChIKeyKMJUBLARHUZGJF-UHFFFAOYSA-N
XLogP1.83
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide (CID 66123315) is 4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)N(C)Cc1csc(C)n1.
What is the InChIKey of 4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is KMJUBLARHUZGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-18-12(11(14)8(2)16-18)13(19)17(4)6-10-7-20-9(3)15-10/h7H,5-6,14H2,1-4H3.
What are the key properties of 4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 293.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66123315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).