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

C16H18N6OS — CID 56875812

IUPAC1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NCc2csc(-c3cnccn3)n2)c1C
InChIInChI=1S/C16H18N6OS/c1-4-22-11(3)14(10(2)21-22)15(23)19-7-12-9-24-16(20-12)13-8-17-5-6-18-13/h5-6,8-9H,4,7H2,1-3H3,(H,19,23)
InChIKeyIQDYYMNPNFWTEE-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.36
Rot. Bonds5

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

1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (PubChem CID 56875812) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
PubChem CID56875812
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
SMILESCCn1nc(C)c(C(=O)NCc2csc(-c3cnccn3)n2)c1C
InChIInChI=1S/C16H18N6OS/c1-4-22-11(3)14(10(2)21-22)15(23)19-7-12-9-24-16(20-12)13-8-17-5-6-18-13/h5-6,8-9H,4,7H2,1-3H3,(H,19,23)
InChIKeyIQDYYMNPNFWTEE-UHFFFAOYSA-N
XLogP2.36
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide (CID 56875812) is 1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is CCn1nc(C)c(C(=O)NCc2csc(-c3cnccn3)n2)c1C.
What is the InChIKey of 1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is IQDYYMNPNFWTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-4-22-11(3)14(10(2)21-22)15(23)19-7-12-9-24-16(20-12)13-8-17-5-6-18-13/h5-6,8-9H,4,7H2,1-3H3,(H,19,23).
What are the key properties of 1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide?
1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 342.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 56875812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).