tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

C12H20N4O2 — CID 71305925

IUPACtert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2[nH]nc(CN)c2C1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)10(6-13)15-14-9/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyMMLCMFJWURJEBO-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.16
Rot. Bonds1

About tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate

tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (PubChem CID 71305925) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
PubChem CID71305925
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nametert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2[nH]nc(CN)c2C1
InChIInChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)10(6-13)15-14-9/h4-7,13H2,1-3H3,(H,14,15)
InChIKeyMMLCMFJWURJEBO-UHFFFAOYSA-N
XLogP1.16
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate (CID 71305925) is tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCc2[nH]nc(CN)c2C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
The InChIKey is MMLCMFJWURJEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)10(6-13)15-14-9/h4-7,13H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate?
tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate has a molecular weight of 252.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate is sourced from PubChem (CID 71305925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).