tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate

C17H25N5O2S — CID 145069003

IUPACtert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate
SMILESCc1cnc(Nc2ccn(CC3CCN(C(=O)OC(C)(C)C)C3)n2)s1
InChIInChI=1S/C17H25N5O2S/c1-12-9-18-15(25-12)19-14-6-8-22(20-14)11-13-5-7-21(10-13)16(23)24-17(2,3)4/h6,8-9,13H,5,7,10-11H2,1-4H3,(H,18,19,20)
InChIKeyYUQBOLDFJNIMSL-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.65
Rot. Bonds4

About tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 145069003) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID145069003
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Nametert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate
SMILESCc1cnc(Nc2ccn(CC3CCN(C(=O)OC(C)(C)C)C3)n2)s1
InChIInChI=1S/C17H25N5O2S/c1-12-9-18-15(25-12)19-14-6-8-22(20-14)11-13-5-7-21(10-13)16(23)24-17(2,3)4/h6,8-9,13H,5,7,10-11H2,1-4H3,(H,18,19,20)
InChIKeyYUQBOLDFJNIMSL-UHFFFAOYSA-N
XLogP3.65
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate (CID 145069003) is tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate is Cc1cnc(Nc2ccn(CC3CCN(C(=O)OC(C)(C)C)C3)n2)s1.
What is the InChIKey of tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is YUQBOLDFJNIMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-12-9-18-15(25-12)19-14-6-8-22(20-14)11-13-5-7-21(10-13)16(23)24-17(2,3)4/h6,8-9,13H,5,7,10-11H2,1-4H3,(H,18,19,20).
What are the key properties of tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 363.49 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazol-1-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 145069003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).