tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate

C17H23N5O2 — CID 124941168

IUPACtert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](Cc2cnc(-c3cn[nH]c3)cn2)C1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)24-16(23)22-5-4-12(11-22)6-14-9-19-15(10-18-14)13-7-20-21-8-13/h7-10,12H,4-6,11H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyALEGOINIRPDCHT-GFCCVEGCSA-N
MW329.40 g/mol
LogP2.67
Rot. Bonds3

About tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate (PubChem CID 124941168) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate
PubChem CID124941168
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Nametert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@H](Cc2cnc(-c3cn[nH]c3)cn2)C1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)24-16(23)22-5-4-12(11-22)6-14-9-19-15(10-18-14)13-7-20-21-8-13/h7-10,12H,4-6,11H2,1-3H3,(H,20,21)/t12-/m1/s1
InChIKeyALEGOINIRPDCHT-GFCCVEGCSA-N
XLogP2.67
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

4-[5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 175660703
tert-butyl (3S)-3-[[6-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]piperidine-1-carboxylate
CID 124942430
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
CID 110102409
tert-butyl (3S)-3-[(5-chloro-4-methyl-2-pyridinyl)methyl]pyrrolidine-1-carboxylate
CID 157407419
2-[(1-propan-2-ylpiperidin-4-yl)methyl]-5-(1H-pyrazol-4-yl)pyrazine
CID 110102359
4-[5-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 124983560
tert-butyl 3-[(5,6-dimethyl-3-pyridinyl)methyl]pyrrolidine-1-carboxylate;sulfane
CID 159206233
tert-butyl 3-[(3,6-dimethylpyrazin-2-yl)methyl]pyrrolidine-1-carboxylate
CID 135135282
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
1-[(3R)-3-[[5-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 125015816
tert-butyl (3S)-3-[(5-chloropyrimidin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97171281

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate (CID 124941168) is tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@H](Cc2cnc(-c3cn[nH]c3)cn2)C1.
What is the InChIKey of tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate?
The InChIKey is ALEGOINIRPDCHT-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,3)24-16(23)22-5-4-12(11-22)6-14-9-19-15(10-18-14)13-7-20-21-8-13/h7-10,12H,4-6,11H2,1-3H3,(H,20,21)/t12-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[5-(1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 124941168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).