tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate

C17H30N4O2 — CID 164630510

IUPACtert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate
SMILESCc1c(CN[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cnn1C
InChIInChI=1S/C17H30N4O2/c1-12-13(9-19-20(12)7)8-18-14-10-21(11-17(14,5)6)15(22)23-16(2,3)4/h9,14,18H,8,10-11H2,1-7H3/t14-/m0/s1
InChIKeyCNQJWAWSMQEFMO-AWEZNQCLSA-N
MW322.45 g/mol
LogP2.46
Rot. Bonds3

About tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate

tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate (PubChem CID 164630510) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate
PubChem CID164630510
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Nametert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate
SMILESCc1c(CN[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cnn1C
InChIInChI=1S/C17H30N4O2/c1-12-13(9-19-20(12)7)8-18-14-10-21(11-17(14,5)6)15(22)23-16(2,3)4/h9,14,18H,8,10-11H2,1-7H3/t14-/m0/s1
InChIKeyCNQJWAWSMQEFMO-AWEZNQCLSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-(aminomethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 71305923
tert-butyl 1-(piperidin-4-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-5-carboxylate
CID 121552363
tert-butyl 3-((methylamino)methyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 132398472
tert-butyl N-[(4-ethynyl-1-methyl-1H-pyrazol-5-yl)methyl]carbamate
CID 146082048
tert-butyl N-[2-amino-2-(1-methyl-1H-pyrazol-4-yl)ethyl]carbamate
CID 165832915
tert-butyl 3-(1-methyl-1H-pyrazol-4-yl)piperazine-1-carboxylate
CID 75422429
3-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72847360
tert-butyl N-[(1R,2R)-2-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]cyclohexyl]carbamate
CID 86784061
tert-butyl (2R)-4-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 99606833
tert-butyl (3R)-3-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3-methylpyrrolidine-1-carboxylate
CID 99792041
tert-butyl N-[[5-[[[(2S)-2-cyanopropyl]amino]methyl]-1-methylpyrazol-4-yl]methyl]carbamate
CID 164636991
tert-Butyl 2-(2-fluoro-2-methylpropyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
CID 68268584

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate (CID 164630510) is tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate is Cc1c(CN[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)cnn1C.
What is the InChIKey of tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate?
The InChIKey is CNQJWAWSMQEFMO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12-13(9-19-20(12)7)8-18-14-10-21(11-17(14,5)6)15(22)23-16(2,3)4/h9,14,18H,8,10-11H2,1-7H3/t14-/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate?
tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1,5-dimethylpyrazol-4-yl)methylamino]-3,3-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 164630510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).