tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate

C17H21ClN4O3 — CID 162764948

IUPACtert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21ClN4O3/c1-17(2,3)25-16(23)22-11-12(10-19-22)14-8-13(18)9-15(20-14)21-4-6-24-7-5-21/h8-11H,4-7H2,1-3H3
InChIKeyUGKHALZWRNXLEV-UHFFFAOYSA-N
MW364.83 g/mol
LogP3.22
Rot. Bonds2

About tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate

tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate (PubChem CID 162764948) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate
PubChem CID162764948
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Nametert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1
InChIInChI=1S/C17H21ClN4O3/c1-17(2,3)25-16(23)22-11-12(10-19-22)14-8-13(18)9-15(20-14)21-4-6-24-7-5-21/h8-11H,4-7H2,1-3H3
InChIKeyUGKHALZWRNXLEV-UHFFFAOYSA-N
XLogP3.22
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate (CID 162764948) is tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate is CC(C)(C)OC(=O)n1cc(-c2cc(Cl)cc(N3CCOCC3)n2)cn1.
What is the InChIKey of tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate?
The InChIKey is UGKHALZWRNXLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-17(2,3)25-16(23)22-11-12(10-19-22)14-8-13(18)9-15(20-14)21-4-6-24-7-5-21/h8-11H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate?
tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate has a molecular weight of 364.83 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-chloro-6-morpholin-4-yl-2-pyridinyl)pyrazole-1-carboxylate is sourced from PubChem (CID 162764948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).