tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate

C14H25N5O2 — CID 58464892

IUPACtert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate
SMILESCn1ncc(N)c1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)16-7-10-5-6-19(9-10)12-11(15)8-17-18(12)4/h8,10H,5-7,9,15H2,1-4H3,(H,16,20)/t10-/m0/s1
InChIKeyZVBRSCOYJDDSQV-JTQLQIEISA-N
MW295.39 g/mol
LogP1.35
Rot. Bonds3

About tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate

tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate (PubChem CID 58464892) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate
PubChem CID58464892
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Nametert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate
SMILESCn1ncc(N)c1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)16-7-10-5-6-19(9-10)12-11(15)8-17-18(12)4/h8,10H,5-7,9,15H2,1-4H3,(H,16,20)/t10-/m0/s1
InChIKeyZVBRSCOYJDDSQV-JTQLQIEISA-N
XLogP1.35
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 141313420
tert-butyl N-[[1-(4-amino-3-hydroxyphenyl)piperidin-4-yl]methyl]carbamate
CID 164687599
tert-butyl N-[[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate
CID 68988251
tert-butyl 2-amino-2-[(3S)-1-(4-amino-1-methylpyrazol-5-yl)piperidin-3-yl]acetate
CID 135742105
tert-butyl N-[[1-(4-chloro-5-methylpyrimidin-2-yl)pyrrolidin-3-yl]methyl]carbamate
CID 71634708
tert-butyl N-[[(3S)-1-(4-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97176211
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
[1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]carbamic acid
CID 67456245
tert-butyl N-[[(3R)-1-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pyrrolidin-3-yl]methyl]carbamate
CID 87734647
tert-butyl N-[[(3R)-1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97174632
tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate (CID 58464892) is tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate is Cn1ncc(N)c1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is ZVBRSCOYJDDSQV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)16-7-10-5-6-19(9-10)12-11(15)8-17-18(12)4/h8,10H,5-7,9,15H2,1-4H3,(H,16,20)/t10-/m0/s1.
What are the key properties of tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 295.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3S)-1-(4-amino-1-methylpyrazol-5-yl)pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 58464892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).