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

C11H15N5OS — CID 65358349

IUPAC4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCc2cnc(C)s2)n1
InChIInChI=1S/C11H15N5OS/c1-3-16-6-9(12)10(15-16)11(17)14-5-8-4-13-7(2)18-8/h4,6H,3,5,12H2,1-2H3,(H,14,17)
InChIKeyMBSGPRNUIJRFJS-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.18
Rot. Bonds4

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

4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide (PubChem CID 65358349) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
PubChem CID65358349
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)NCc2cnc(C)s2)n1
InChIInChI=1S/C11H15N5OS/c1-3-16-6-9(12)10(15-16)11(17)14-5-8-4-13-7(2)18-8/h4,6H,3,5,12H2,1-2H3,(H,14,17)
InChIKeyMBSGPRNUIJRFJS-UHFFFAOYSA-N
XLogP1.18
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide (CID 65358349) is 4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)NCc2cnc(C)s2)n1.
What is the InChIKey of 4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is MBSGPRNUIJRFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-16-6-9(12)10(15-16)11(17)14-5-8-4-13-7(2)18-8/h4,6H,3,5,12H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65358349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).