tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate

C15H22N6O2 — CID 143441006

IUPACtert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(N2CC[C@H](N)C2)nc2ccnn12
InChIInChI=1S/C15H22N6O2/c1-15(2,3)23-14(22)19-13-8-12(20-7-5-10(16)9-20)18-11-4-6-17-21(11)13/h4,6,8,10H,5,7,9,16H2,1-3H3,(H,19,22)/t10-/m0/s1
InChIKeyCROHCUQBTLFUIQ-JTQLQIEISA-N
MW318.38 g/mol
LogP1.61
Rot. Bonds2

About tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate

tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate (PubChem CID 143441006) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
PubChem CID143441006
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Nametert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(N2CC[C@H](N)C2)nc2ccnn12
InChIInChI=1S/C15H22N6O2/c1-15(2,3)23-14(22)19-13-8-12(20-7-5-10(16)9-20)18-11-4-6-17-21(11)13/h4,6,8,10H,5,7,9,16H2,1-3H3,(H,19,22)/t10-/m0/s1
InChIKeyCROHCUQBTLFUIQ-JTQLQIEISA-N
XLogP1.61
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[5-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3-sulfanylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate
CID 58972277
tert-butyl N-[(3S)-1-[3-bromo-7-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-3-yl]carbamate
CID 58972364
tert-butyl N-[2-[[6-[(3S)-3-aminopyrrolidin-1-yl]pyridine-3-carbonyl]amino]phenyl]carbamate
CID 59806014
tert-butyl N-[5-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3-sulfanylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate;tert-butyl N-[5-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3-thiocyanatopyrazolo[1,5-a]pyrimidin-7-yl]carbamate
CID 159331367
tert-butyl N-[(3S)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]carbamate;(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-amine;trihydrochloride
CID 162046922
tert-butyl N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate
CID 146502731
tert-butyl N-[(1S,3S)-3-[(5-cyclopentylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate;sulfane;trans-(1S,3S)-3-N-(5-cyclopentylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine;hydrochloride
CID 160739368
tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate;sulfane;trans-(1S,3S)-3-N-(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine;hydrochloride
CID 163968846
tert-butyl N-[4-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclohexyl]carbamate
CID 146502802
tert-butyl N-[(1S,3S)-3-[(5-butan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate
CID 146502762
tert-butyl N-[[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97176211
tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-1-carboxylate
CID 86664785

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate (CID 143441006) is tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate is CC(C)(C)OC(=O)Nc1cc(N2CC[C@H](N)C2)nc2ccnn12.
What is the InChIKey of tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
The InChIKey is CROHCUQBTLFUIQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N6O2/c1-15(2,3)23-14(22)19-13-8-12(20-7-5-10(16)9-20)18-11-4-6-17-21(11)13/h4,6,8,10H,5,7,9,16H2,1-3H3,(H,19,22)/t10-/m0/s1.
What are the key properties of tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate has a molecular weight of 318.38 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(3S)-3-aminopyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate is sourced from PubChem (CID 143441006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).