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

C11H18N4O2 — CID 71695397

IUPACtert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(N)n[nH]c2C1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-4-7-8(6-15)13-14-9(7)12/h4-6H2,1-3H3,(H3,12,13,14)
InChIKeyYAHKFZGMKQRTKA-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.29
Rot. Bonds

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

tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 71695397) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID71695397
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Nametert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(N)n[nH]c2C1
InChIInChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-4-7-8(6-15)13-14-9(7)12/h4-6H2,1-3H3,(H3,12,13,14)
InChIKeyYAHKFZGMKQRTKA-UHFFFAOYSA-N
XLogP1.29
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-amino-1H,4H,5H,6H,7H-pyrazolo(4,3-c)pyridine-5-carboxylate
CID 67201367
tert-butyl 3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 49759218
1,1-Dimethylethyl 1,4,5,7-tetrahydro-6H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 57345832
tert-butyl 3-iodo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 118561331
tert-butyl 3-(aminomethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 71305925
tert-Butyl 3-(trifluoromethyl)-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
CID 50992799
Tert-butyl 3-(fluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 121435481
1-(3-Amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2,2-trifluoroethanone
CID 84581505
Tert-butyl 3-[(2,2,2-trifluoroacetyl)amino]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 110476707
tert-butyl 4-(3-amino-4-cyano-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 22309772
Tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 69179042
Tert-butyl 3-amino-6-methyl-4,6-dihydropyrrolo[3,4-C]pyrazole-5(1H)-carboxylate
CID 72210917

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate (CID 71695397) is tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2c(N)n[nH]c2C1.
What is the InChIKey of tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is YAHKFZGMKQRTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-5-4-7-8(6-15)13-14-9(7)12/h4-6H2,1-3H3,(H3,12,13,14).
What are the key properties of tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 71695397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).