tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate

C17H26N6O2 — CID 150003541

IUPACtert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate
SMILESCCc1nn2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2c1N
InChIInChI=1S/C17H26N6O2/c1-5-12-14(18)15-19-13(6-7-23(15)20-12)21-8-10-22(11-9-21)16(24)25-17(2,3)4/h6-7H,5,8-11,18H2,1-4H3
InChIKeyDBUMHSGNBGOJEX-UHFFFAOYSA-N
MW346.44 g/mol
LogP1.93
Rot. Bonds2

About tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate

tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate (PubChem CID 150003541) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate
PubChem CID150003541
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Nametert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate
SMILESCCc1nn2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2c1N
InChIInChI=1S/C17H26N6O2/c1-5-12-14(18)15-19-13(6-7-23(15)20-12)21-8-10-22(11-9-21)16(24)25-17(2,3)4/h6-7H,5,8-11,18H2,1-4H3
InChIKeyDBUMHSGNBGOJEX-UHFFFAOYSA-N
XLogP1.93
TPSA88.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(4,5,6-triethyl-2-pyridinyl)piperazine-1-carboxylate
CID 168992441
tert-butyl 4-(1-methylpyrazol-3-yl)piperazine-1-carboxylate
CID 145108987
tert-butyl 4-(5-amino-6-methoxy-2-pyridinyl)piperazine-1-carboxylate;ethane
CID 145279147
tert-butyl 4-(6-acetyl-2-pyridinyl)piperazine-1-carboxylate
CID 168933947
tert-butyl 4-(5-amino-6-methyl-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 93206779
tert-butyl 4-(1-ethyl-6-oxopyridazin-3-yl)piperazine-1-carboxylate
CID 163353157
2-ethyl-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-4-carboxylic acid
CID 169299170
tert-butyl 4-[2-ethyl-3-(methylamino)imidazo[1,2-b]pyridazin-6-yl]-1,4-diazepane-1-carboxylate
CID 126689939
tert-butyl 4-(6-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 86690166
tert-butyl 4-(6-chloropyrazin-2-yl)piperazine-1-carboxylate;2,6-dichloropyrazine
CID 87578550
tert-butyl 4-(5-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)piperazine-1-carboxylate
CID 146275994

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate (CID 150003541) is tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate is CCc1nn2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2c1N.
What is the InChIKey of tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate?
The InChIKey is DBUMHSGNBGOJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-5-12-14(18)15-19-13(6-7-23(15)20-12)21-8-10-22(11-9-21)16(24)25-17(2,3)4/h6-7H,5,8-11,18H2,1-4H3.
What are the key properties of tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate?
tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate has a molecular weight of 346.44 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-amino-2-ethylpyrazolo[1,5-a]pyrimidin-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 150003541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).