1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide

C14H20N4OS — CID 154760488

IUPAC1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2nccs2)nn1C(C)(C)C
InChIInChI=1S/C14H20N4OS/c1-9-8-11(17-18(9)14(3,4)5)12(19)16-10(2)13-15-6-7-20-13/h6-8,10H,1-5H3,(H,16,19)/t10-/m0/s1
InChIKeyNRGGZTZGEMFMGN-JTQLQIEISA-N
MW292.41 g/mol
LogP2.89
Rot. Bonds3

About 1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide

1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide (PubChem CID 154760488) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide
PubChem CID154760488
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)c2nccs2)nn1C(C)(C)C
InChIInChI=1S/C14H20N4OS/c1-9-8-11(17-18(9)14(3,4)5)12(19)16-10(2)13-15-6-7-20-13/h6-8,10H,1-5H3,(H,16,19)/t10-/m0/s1
InChIKeyNRGGZTZGEMFMGN-JTQLQIEISA-N
XLogP2.89
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide (CID 154760488) is 1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](C)c2nccs2)nn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?
The InChIKey is NRGGZTZGEMFMGN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-8-11(17-18(9)14(3,4)5)12(19)16-10(2)13-15-6-7-20-13/h6-8,10H,1-5H3,(H,16,19)/t10-/m0/s1.
What are the key properties of 1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide?
1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide is sourced from PubChem (CID 154760488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).