tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate

C17H21FN4O2 — CID 169247288

IUPACtert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate
SMILESCc1cc(F)c(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)cn1
InChIInChI=1S/C17H21FN4O2/c1-11-5-15(18)14(7-19-11)12-6-20-22(8-12)13-9-21(10-13)16(23)24-17(2,3)4/h5-8,13H,9-10H2,1-4H3
InChIKeyNNCYOCLXMSEABG-UHFFFAOYSA-N
MW332.38 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate

tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate (PubChem CID 169247288) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate
PubChem CID169247288
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Nametert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate
SMILESCc1cc(F)c(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)cn1
InChIInChI=1S/C17H21FN4O2/c1-11-5-15(18)14(7-19-11)12-6-20-22(8-12)13-9-21(10-13)16(23)24-17(2,3)4/h5-8,13H,9-10H2,1-4H3
InChIKeyNNCYOCLXMSEABG-UHFFFAOYSA-N
XLogP3.18
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 4-[4-(5-cyano-2-fluorophenyl)pyrazol-1-yl]piperidine-1-carboxylate
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tert-butyl 3-[4-[2-[(2S,3R)-3-hydroxy-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]azetidine-1-carboxylate
CID 155385459
tert-butyl 3-[4-[6-chloro-5-cyano-4-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]azetidine-1-carboxylate
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2,6-dimethyl-4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 172876934
tert-butyl 4-[4-(4-cyano-2-methylphenyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 170855204
tert-butyl 4-[4-(7-amino-2-chloro-3-methylfuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]piperidine-1-carboxylate
CID 66759891
tert-butyl 4-[4-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate (CID 169247288) is tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate is Cc1cc(F)c(-c2cnn(C3CN(C(=O)OC(C)(C)C)C3)c2)cn1.
What is the InChIKey of tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate?
The InChIKey is NNCYOCLXMSEABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11-5-15(18)14(7-19-11)12-6-20-22(8-12)13-9-21(10-13)16(23)24-17(2,3)4/h5-8,13H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate?
tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(4-fluoro-6-methyl-3-pyridinyl)pyrazol-1-yl]azetidine-1-carboxylate is sourced from PubChem (CID 169247288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).