tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate

C15H21N5O2 — CID 90079174

IUPACtert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)19-10-8-18(9-11-19)13-5-6-16-12-4-7-17-20(12)13/h4-7H,8-11H2,1-3H3
InChIKeyMMWFRPSMDKIYIB-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.79
Rot. Bonds1

About tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate

tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate (PubChem CID 90079174) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate
PubChem CID90079174
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Nametert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)19-10-8-18(9-11-19)13-5-6-16-12-4-7-17-20(12)13/h4-7H,8-11H2,1-3H3
InChIKeyMMWFRPSMDKIYIB-UHFFFAOYSA-N
XLogP1.79
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(5-Methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-piperazine-1-carboxylic acid tert-butyl ester
CID 647029
1-(4-{1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperazin-1-yl)prop-2-en-1-one
CID 122143996
ethyl 4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazine-1-carboxylate
CID 6852056
1-(4-Pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one
CID 110874046
2-Methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
CID 110874047
Cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
CID 110874048
2,2-Dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
CID 110874053
Methyl 4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepane-1-carboxylate
CID 134795873
2-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide
CID 134796243
N,N-dimethyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-4-carboxamide
CID 134796388
(4-Methylpiperazin-1-yl)-(1-pyrazolo[1,5-a]pyrimidin-7-ylazetidin-3-yl)methanone
CID 134797477
2,2-Dimethyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-yl-1,4-diazepan-1-yl)propan-1-one
CID 134797917

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate (CID 90079174) is tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate?
The InChIKey is MMWFRPSMDKIYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)19-10-8-18(9-11-19)13-5-6-16-12-4-7-17-20(12)13/h4-7H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate?
tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate has a molecular weight of 303.37 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazine-1-carboxylate is sourced from PubChem (CID 90079174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).