tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid

C12H19N3O2 — CID 118340740

IUPACtert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cnn2c1CCCC2
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15(11(16)17)10-8-13-14-7-5-4-6-9(10)14/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyAMJXABZUIXBSTA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.50
Rot. Bonds1

About tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid

tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid (PubChem CID 118340740) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid.

Molecular Properties

Compound Nametert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid
PubChem CID118340740
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1cnn2c1CCCC2
InChIInChI=1S/C12H19N3O2/c1-12(2,3)15(11(16)17)10-8-13-14-7-5-4-6-9(10)14/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyAMJXABZUIXBSTA-UHFFFAOYSA-N
XLogP2.50
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N,N-dimethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-amine
CID 146613142
4,4-difluoro-N,N-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-amine
CID 146617417
1-[5-(difluoromethyl)-1-methyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-fluoroprop-2-en-1-one
CID 167982328
1,5,6,7-Tetrahydropyrazolo[4,5-b]pyridine-4-carboxylic acid
CID 20784737
1,4-di(propan-2-yl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine
CID 58110724
N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)acetamide
CID 58464816
1-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)pyrrole-2,5-dione
CID 67465628
1-Tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
CID 84647054
2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 89500164
1,4-dimethyl-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine
CID 89591085
2-methyl-6,7-dihydro-5H-pyrazolo[4,3-b]pyridine-4-carboxylic acid
CID 90040560
tert-Butyl 1-methyl-6,7-dihydro-1H-pyrazolo[4,3-b]pyridine-4(5H)-carboxylate
CID 90040985

Frequently Asked Questions

What is the IUPAC name of tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid?
The IUPAC name of tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid (CID 118340740) is tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid.
What is the SMILES notation for tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid?
The canonical SMILES for tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid is CC(C)(C)N(C(=O)O)c1cnn2c1CCCC2.
What is the InChIKey of tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid?
The InChIKey is AMJXABZUIXBSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)15(11(16)17)10-8-13-14-7-5-4-6-9(10)14/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid?
tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid has a molecular weight of 237.30 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)carbamic acid is sourced from PubChem (CID 118340740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).