tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate

C14H18N4O3 — CID 59333103

IUPACtert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate
SMILESCOc1cncc(-c2cc(N)n(C(=O)OC(C)(C)C)n2)c1
InChIInChI=1S/C14H18N4O3/c1-14(2,3)21-13(19)18-12(15)6-11(17-18)9-5-10(20-4)8-16-7-9/h5-8H,15H2,1-4H3
InChIKeyVDMABZNCVYLEML-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate

tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate (PubChem CID 59333103) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate
PubChem CID59333103
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Nametert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate
SMILESCOc1cncc(-c2cc(N)n(C(=O)OC(C)(C)C)n2)c1
InChIInChI=1S/C14H18N4O3/c1-14(2,3)21-13(19)18-12(15)6-11(17-18)9-5-10(20-4)8-16-7-9/h5-8H,15H2,1-4H3
InChIKeyVDMABZNCVYLEML-UHFFFAOYSA-N
XLogP2.32
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 5-amino-3-[(3,5-dimethoxyphenyl)methoxy]pyrazole-1-carboxylate
CID 66589741
tert-butyl 5-amino-3-cyclopropylpyrazole-1-carboxylate
CID 11356513
tert-butyl 5-amino-3-cyclopentylpyrazole-1-carboxylate
CID 18423587
tert-butyl 5-(bromomethyl)-3-(4-fluoro-3-methoxyphenyl)pyrazole-1-carboxylate
CID 89082864
tert-butyl (3S)-3-[(5-methoxy-3-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 140872433
tert-butyl 4-amino-3-(3-methoxyphenyl)-5-(2-methylpropyl)pyrazole-1-carboxylate
CID 42873977
methyl 5-amino-3-pyrimidin-4-ylpyrazole-1-carboxylate
CID 58531134
tert-butyl 3-(5-methoxypyridine-3-carbonyl)pyrrolidine-1-carboxylate
CID 107092066
tert-butyl 3-[4-(difluoromethoxy)phenyl]-5-methylpyrazole-1-carboxylate
CID 70901572
6-(5-methoxy-3-pyridinyl)pyridin-2-amine
CID 39834222
tert-butyl 5-(bromomethyl)-3-(3-cyanophenyl)pyrazole-1-carboxylate
CID 89082829
tert-butyl 4-amino-3-(2-fluoro-4-methoxyphenyl)-5-methylpyrazole-1-carboxylate
CID 42873965

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate (CID 59333103) is tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate is COc1cncc(-c2cc(N)n(C(=O)OC(C)(C)C)n2)c1.
What is the InChIKey of tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate?
The InChIKey is VDMABZNCVYLEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-14(2,3)21-13(19)18-12(15)6-11(17-18)9-5-10(20-4)8-16-7-9/h5-8H,15H2,1-4H3.
What are the key properties of tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate?
tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-amino-3-(5-methoxy-3-pyridinyl)pyrazole-1-carboxylate is sourced from PubChem (CID 59333103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).