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

C12H17N5OS — CID 66123691

IUPAC4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCc1nc(C)cs1
InChIInChI=1S/C12H17N5OS/c1-4-17-11(10(13)8(3)16-17)12(18)14-5-9-15-7(2)6-19-9/h6H,4-5,13H2,1-3H3,(H,14,18)
InChIKeyBGJQMRUCTQPEEF-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.49
Rot. Bonds4

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

4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide (PubChem CID 66123691) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide
PubChem CID66123691
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NCc1nc(C)cs1
InChIInChI=1S/C12H17N5OS/c1-4-17-11(10(13)8(3)16-17)12(18)14-5-9-15-7(2)6-19-9/h6H,4-5,13H2,1-3H3,(H,14,18)
InChIKeyBGJQMRUCTQPEEF-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide (CID 66123691) is 4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)NCc1nc(C)cs1.
What is the InChIKey of 4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is BGJQMRUCTQPEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-17-11(10(13)8(3)16-17)12(18)14-5-9-15-7(2)6-19-9/h6H,4-5,13H2,1-3H3,(H,14,18).
What are the key properties of 4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.49, 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-3-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 66123691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).