1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide

C15H22N4OS — CID 47870942

IUPAC1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2cscn2)cnn1C(C)(C)C
InChIInChI=1S/C15H22N4OS/c1-6-13-12(7-17-19(13)15(2,3)4)14(20)18(5)8-11-9-21-10-16-11/h7,9-10H,6,8H2,1-5H3
InChIKeyIBPRMLVERNXLMV-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.93
Rot. Bonds4

About 1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide

1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 47870942) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID47870942
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)N(C)Cc2cscn2)cnn1C(C)(C)C
InChIInChI=1S/C15H22N4OS/c1-6-13-12(7-17-19(13)15(2,3)4)14(20)18(5)8-11-9-21-10-16-11/h7,9-10H,6,8H2,1-5H3
InChIKeyIBPRMLVERNXLMV-UHFFFAOYSA-N
XLogP2.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide (CID 47870942) is 1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide is CCc1c(C(=O)N(C)Cc2cscn2)cnn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is IBPRMLVERNXLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-6-13-12(7-17-19(13)15(2,3)4)14(20)18(5)8-11-9-21-10-16-11/h7,9-10H,6,8H2,1-5H3.
What are the key properties of 1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide?
1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 47870942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).