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

C11H17N3O2 — CID 57345832

IUPACtert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cn[nH]c2C1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-6-12-13-9(8)7-14/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyXSHYMCSSTAWZOW-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.70
Rot. Bonds

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

tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 57345832) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID57345832
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Nametert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cn[nH]c2C1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-6-12-13-9(8)7-14/h6H,4-5,7H2,1-3H3,(H,12,13)
InChIKeyXSHYMCSSTAWZOW-UHFFFAOYSA-N
XLogP1.70
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Boc-1,4,6,7-tetrahydropyrazolo[4,3-C]pyridine
CID 10398680
tert-Butyl 7,7-dimethyl-6,7-dihydro-1H-pyrazolo[4,3-c]pyridine-5(4H)-carboxylate
CID 37818370
tert-butyl 3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 49759218
tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-4-carboxylate
CID 71299236
tert-butyl 3-amino-2H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 71695397
tert-butyl 3-iodo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 118561331
Tert-butyl 4,5,11-triazatricyclo[6.2.1.0,2,6]undeca-2(6),3-diene-11-carboxylate
CID 119106461
tert-butyl 3-(aminomethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 71305925
Carbamic acid, N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)-, 1,1-dimethylethyl ester
CID 75427677
tert-butyl N-[(7S)-4,5,6,7-tetrahydro-1H-indazol-7-yl]carbamate
CID 97184680
methyl N-[(2S)-1-oxo-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-2-yl]carbamate
CID 100066220
tert-butyl N-[2-ethyl-2-[(4-methyl-1H-pyrazol-5-yl)methylamino]butyl]carbamate
CID 137982710

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate (CID 57345832) is tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2cn[nH]c2C1.
What is the InChIKey of tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is XSHYMCSSTAWZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-5-4-8-6-12-13-9(8)7-14/h6H,4-5,7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 223.28 g/mol, XLogP of 1.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 57345832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).