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

C12H17N5OS — CID 66116344

IUPAC4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(C)c2nccs2)c1N
InChIInChI=1S/C12H17N5OS/c1-4-8-9(13)10(17(3)16-8)11(18)15-7(2)12-14-5-6-19-12/h5-7H,4,13H2,1-3H3,(H,15,18)
InChIKeyFNUIVLOUDPTBGL-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.51
Rot. Bonds4

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

4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 66116344) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide
PubChem CID66116344
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NC(C)c2nccs2)c1N
InChIInChI=1S/C12H17N5OS/c1-4-8-9(13)10(17(3)16-8)11(18)15-7(2)12-14-5-6-19-12/h5-7H,4,13H2,1-3H3,(H,15,18)
InChIKeyFNUIVLOUDPTBGL-UHFFFAOYSA-N
XLogP1.51
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide (CID 66116344) is 4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NC(C)c2nccs2)c1N.
What is the InChIKey of 4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is FNUIVLOUDPTBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-8-9(13)10(17(3)16-8)11(18)15-7(2)12-14-5-6-19-12/h5-7H,4,13H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide?
4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethyl-1-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66116344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).