tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate

C17H30N4O2 — CID 103783532

IUPACtert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
SMILESCc1nn(C)c(C)c1C(C)NC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H30N4O2/c1-11(15-12(2)19-20(7)13(15)3)18-14-8-9-21(10-14)16(22)23-17(4,5)6/h11,14,18H,8-10H2,1-7H3
InChIKeyAIWATEZNOLLMJO-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.70
Rot. Bonds3

About tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate

tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate (PubChem CID 103783532) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
PubChem CID103783532
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
SMILESCc1nn(C)c(C)c1C(C)NC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H30N4O2/c1-11(15-12(2)19-20(7)13(15)3)18-14-8-9-21(10-14)16(22)23-17(4,5)6/h11,14,18H,8-10H2,1-7H3
InChIKeyAIWATEZNOLLMJO-UHFFFAOYSA-N
XLogP2.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103820989
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CID 99833211
tert-butyl 4-[(1,3,5-trimethylpyrazol-4-yl)amino]azepane-1-carboxylate
CID 103980702
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239410
tert-butyl 3-[1-(3,4-dimethylphenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239352
tert-butyl 3-[1-(4-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711104
tert-butyl 3-[1-(3,5-difluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103783496
tert-butyl (3S)-3-[[(1S)-1-pyrazin-2-ylethyl]amino]pyrrolidine-1-carboxylate
CID 97175478
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633325
tert-butyl 3-[(1-methoxy-1-oxopropan-2-yl)amino]pyrrolidine-1-carboxylate
CID 79040519
tert-butyl (3S)-3-[1-(1H-pyrrol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633333
tert-butyl 3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate (CID 103783532) is tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate is Cc1nn(C)c(C)c1C(C)NC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
The InChIKey is AIWATEZNOLLMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11(15-12(2)19-20(7)13(15)3)18-14-8-9-21(10-14)16(22)23-17(4,5)6/h11,14,18H,8-10H2,1-7H3.
What are the key properties of tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate?
tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylamino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103783532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).