tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate

C17H26F2N4O2 — CID 176705240

IUPACtert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(n1cc(N)c(C(F)F)n1)C2
InChIInChI=1S/C17H26F2N4O2/c1-16(2,3)25-15(24)22-6-4-17(5-7-22)8-11(9-17)23-10-12(20)13(21-23)14(18)19/h10-11,14H,4-9,20H2,1-3H3
InChIKeyOYDARYDQQVOSJG-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.76
Rot. Bonds2

About tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate

tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 176705240) has the molecular formula C17H26F2N4O2 and a molecular weight of 356.42 g/mol. Its IUPAC name is tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID176705240
Molecular FormulaC17H26F2N4O2
Molecular Weight356.42 g/mol
Exact Mass356.20
IUPAC Nametert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CC(n1cc(N)c(C(F)F)n1)C2
InChIInChI=1S/C17H26F2N4O2/c1-16(2,3)25-15(24)22-6-4-17(5-7-22)8-11(9-17)23-10-12(20)13(21-23)14(18)19/h10-11,14H,4-9,20H2,1-3H3
InChIKeyOYDARYDQQVOSJG-UHFFFAOYSA-N
XLogP3.76
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(5-(difluoromethyl)-1-(piperidin-4-yl)-1H-pyrazol-4-yl)carbamate
CID 138005997
tert-butyl N-(1-(piperidin-4-yl)-5-(trifluoromethyl)-1H-pyrazol-4-yl)carbamate
CID 138047230
tert-butyl (2R,3R)-3-[(1,3-dimethylpyrazol-4-yl)carbamoyl]-2-methylpiperidine-1-carboxylate
CID 126813145
tert-Butyl (3S)-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}piperazine-1-carboxylate
CID 57744184
Tert-butyl 3-(4-amino-5-methylpyrazol-1-yl)-4,4-difluoropiperidine-1-carboxylate
CID 118288973
tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419938
tert-butyl 3-(3,3-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419957
tert-butyl (3R)-3-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 124616177
Tert-butyl 6-[4-amino-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 135342036
Tert-butyl 4-[4-amino-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 135342070
[1-[6-[4-Amino-3-(trifluoromethyl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]-2-methylpropan-2-yl] acetate
CID 135342095
Tert-butyl 4-[2-[3-[3-(difluoromethyl)-4-nitropyrazol-1-yl]azetidin-1-yl]ethyl]piperidine-1-carboxylate
CID 146598611

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate (CID 176705240) is tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CC(n1cc(N)c(C(F)F)n1)C2.
What is the InChIKey of tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is OYDARYDQQVOSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N4O2/c1-16(2,3)25-15(24)22-6-4-17(5-7-22)8-11(9-17)23-10-12(20)13(21-23)14(18)19/h10-11,14H,4-9,20H2,1-3H3.
What are the key properties of tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate?
tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-amino-3-(difluoromethyl)pyrazol-1-yl]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 176705240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).