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

C14H21N3O2 — CID 69179042

IUPACtert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(C3CC3)n[nH]c2C1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-7-6-10-11(8-17)15-16-12(10)9-4-5-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyWQLMGKRNSGSHRW-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.58
Rot. Bonds1

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

tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 69179042) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID69179042
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nametert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2c(C3CC3)n[nH]c2C1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-7-6-10-11(8-17)15-16-12(10)9-4-5-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyWQLMGKRNSGSHRW-UHFFFAOYSA-N
XLogP2.58
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate (CID 69179042) is tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2c(C3CC3)n[nH]c2C1.
What is the InChIKey of tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is WQLMGKRNSGSHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-7-6-10-11(8-17)15-16-12(10)9-4-5-9/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-cyclopropyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 69179042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).