1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide

C17H22N4OS — CID 94237843

IUPAC1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C17H22N4OS/c1-17(2,3)21-14(8-12(20-21)10-4-5-10)15(22)19-16-18-13(9-23-16)11-6-7-11/h8-11H,4-7H2,1-3H3,(H,18,19,22)
InChIKeyWCEPSTRLYGJOGF-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.10
Rot. Bonds4

About 1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide

1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (PubChem CID 94237843) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
PubChem CID94237843
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide
SMILESCC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1nc(C2CC2)cs1
InChIInChI=1S/C17H22N4OS/c1-17(2,3)21-14(8-12(20-21)10-4-5-10)15(22)19-16-18-13(9-23-16)11-6-7-11/h8-11H,4-7H2,1-3H3,(H,18,19,22)
InChIKeyWCEPSTRLYGJOGF-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide (CID 94237843) is 1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1nc(C2CC2)cs1.
What is the InChIKey of 1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
The InChIKey is WCEPSTRLYGJOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-17(2,3)21-14(8-12(20-21)10-4-5-10)15(22)19-16-18-13(9-23-16)11-6-7-11/h8-11H,4-7H2,1-3H3,(H,18,19,22).
What are the key properties of 1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide?
1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-cyclopropyl-N-(4-cyclopropyl-1,3-thiazol-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 94237843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).