tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate

C17H28N4O2 — CID 136709278

IUPACtert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
SMILESCc1cc2n(n1)C(C1CCCN(C(=O)OC(C)(C)C)C1)CCN2
InChIInChI=1S/C17H28N4O2/c1-12-10-15-18-8-7-14(21(15)19-12)13-6-5-9-20(11-13)16(22)23-17(2,3)4/h10,13-14,18H,5-9,11H2,1-4H3
InChIKeyFKOVDITUWCDVJF-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.20
Rot. Bonds1

About tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate

tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate (PubChem CID 136709278) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
PubChem CID136709278
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
SMILESCc1cc2n(n1)C(C1CCCN(C(=O)OC(C)(C)C)C1)CCN2
InChIInChI=1S/C17H28N4O2/c1-12-10-15-18-8-7-14(21(15)19-12)13-6-5-9-20(11-13)16(22)23-17(2,3)4/h10,13-14,18H,5-9,11H2,1-4H3
InChIKeyFKOVDITUWCDVJF-UHFFFAOYSA-N
XLogP3.20
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(4,5,6,7-tetrahydrotetrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 136840371
tert-butyl 3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 136839848
tert-butyl 4-propan-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-11-carboxylate
CID 136839020
tert-butyl (3R)-3-[(3R)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 125041566
tert-butyl 4-pentan-2-yl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-11-carboxylate
CID 137012016
tert-butyl 2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-11-carboxylate
CID 136840915
tert-butyl 3-(2-methyl-4-pyridinyl)piperidine-1-carboxylate
CID 135135280
tert-butyl 3-(6-chloro-2,3-dihydro-1H-indol-2-yl)piperidine-1-carboxylate
CID 70223224
tert-butyl (4R)-3-(3,5-dimethylpyrazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 126846216
tert-butyl (4aR,7aR)-1-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-6-carboxylate
CID 155324247
tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 95386953
tert-butyl (3S)-3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]piperidine-1-carboxylate
CID 71646723

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate (CID 136709278) is tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate is Cc1cc2n(n1)C(C1CCCN(C(=O)OC(C)(C)C)C1)CCN2.
What is the InChIKey of tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
The InChIKey is FKOVDITUWCDVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12-10-15-18-8-7-14(21(15)19-12)13-6-5-9-20(11-13)16(22)23-17(2,3)4/h10,13-14,18H,5-9,11H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate?
tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate has a molecular weight of 320.44 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate is sourced from PubChem (CID 136709278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).