tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate

C19H29N5O2 — CID 175980138

IUPACtert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate
SMILESCC(C)c1cnn2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C19H29N5O2/c1-13(2)15-12-20-24-11-8-16(22-17(15)24)23-9-6-14(7-10-23)21-18(25)26-19(3,4)5/h8,11-14H,6-7,9-10H2,1-5H3,(H,21,25)
InChIKeyXYFYZOLEDYERNG-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate (PubChem CID 175980138) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate
PubChem CID175980138
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Nametert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate
SMILESCC(C)c1cnn2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc12
InChIInChI=1S/C19H29N5O2/c1-13(2)15-12-20-24-11-8-16(22-17(15)24)23-9-6-14(7-10-23)21-18(25)26-19(3,4)5/h8,11-14H,6-7,9-10H2,1-5H3,(H,21,25)
InChIKeyXYFYZOLEDYERNG-UHFFFAOYSA-N
XLogP3.35
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(3R,5R)-3-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 172587039
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
tert-butyl N-[1-(6-chloro-2-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 175640181
tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
CID 156555085
[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl] 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylate
CID 163790869
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487
tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 169291402
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate (CID 175980138) is tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate is CC(C)c1cnn2ccc(N3CCC(NC(=O)OC(C)(C)C)CC3)nc12.
What is the InChIKey of tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate?
The InChIKey is XYFYZOLEDYERNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13(2)15-12-20-24-11-8-16(22-17(15)24)23-9-6-14(7-10-23)21-18(25)26-19(3,4)5/h8,11-14H,6-7,9-10H2,1-5H3,(H,21,25).
What are the key properties of tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate has a molecular weight of 359.47 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 175980138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).