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

C12H17N5OS — CID 65357552

IUPAC4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)Cc1cnc(C)s1
InChIInChI=1S/C12H17N5OS/c1-4-17-11(10(13)6-15-17)12(18)16(3)7-9-5-14-8(2)19-9/h5-6H,4,7,13H2,1-3H3
InChIKeyBQEOWOVTXHHALI-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.52
Rot. Bonds4

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

4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide (PubChem CID 65357552) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
PubChem CID65357552
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)Cc1cnc(C)s1
InChIInChI=1S/C12H17N5OS/c1-4-17-11(10(13)6-15-17)12(18)16(3)7-9-5-14-8(2)19-9/h5-6H,4,7,13H2,1-3H3
InChIKeyBQEOWOVTXHHALI-UHFFFAOYSA-N
XLogP1.52
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.52
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-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide (CID 65357552) is 4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)N(C)Cc1cnc(C)s1.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is BQEOWOVTXHHALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-17-11(10(13)6-15-17)12(18)16(3)7-9-5-14-8(2)19-9/h5-6H,4,7,13H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.52, 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-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65357552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).