1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

C19H22N4O2S — CID 56649052

IUPAC1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2nc(CO)cs2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H22N4O2S/c1-19(2,3)16-9-15(17(25)21-18-20-14(11-24)12-26-18)23(22-16)10-13-7-5-4-6-8-13/h4-9,12,24H,10-11H2,1-3H3,(H,20,21,25)
InChIKeyBKLWXCRJUPADLW-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.43
Rot. Bonds5

About 1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide

1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (PubChem CID 56649052) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
PubChem CID56649052
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
SMILESCC(C)(C)c1cc(C(=O)Nc2nc(CO)cs2)n(Cc2ccccc2)n1
InChIInChI=1S/C19H22N4O2S/c1-19(2,3)16-9-15(17(25)21-18-20-14(11-24)12-26-18)23(22-16)10-13-7-5-4-6-8-13/h4-9,12,24H,10-11H2,1-3H3,(H,20,21,25)
InChIKeyBKLWXCRJUPADLW-UHFFFAOYSA-N
XLogP3.43
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The IUPAC name of 1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide (CID 56649052) is 1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The canonical SMILES for 1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is CC(C)(C)c1cc(C(=O)Nc2nc(CO)cs2)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
The InChIKey is BKLWXCRJUPADLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-19(2,3)16-9-15(17(25)21-18-20-14(11-24)12-26-18)23(22-16)10-13-7-5-4-6-8-13/h4-9,12,24H,10-11H2,1-3H3,(H,20,21,25).
What are the key properties of 1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide?
1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-tert-butyl-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 56649052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).