tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate

C17H25N5O2 — CID 175337657

IUPACtert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
SMILESCc1cn[nH]c1C1CCN(C(=O)OC(C)(C)C)C1c1[nH]ncc1C
InChIInChI=1S/C17H25N5O2/c1-10-8-18-20-13(10)12-6-7-22(16(23)24-17(3,4)5)15(12)14-11(2)9-19-21-14/h8-9,12,15H,6-7H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQXYJEXNXCHSNDE-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.22
Rot. Bonds2

About tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate

tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate (PubChem CID 175337657) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
PubChem CID175337657
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Nametert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
SMILESCc1cn[nH]c1C1CCN(C(=O)OC(C)(C)C)C1c1[nH]ncc1C
InChIInChI=1S/C17H25N5O2/c1-10-8-18-20-13(10)12-6-7-22(16(23)24-17(3,4)5)15(12)14-11(2)9-19-21-14/h8-9,12,15H,6-7H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQXYJEXNXCHSNDE-UHFFFAOYSA-N
XLogP3.22
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-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 (1R,5S)-7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carboxylate
CID 86655974
tert-butyl 3-hydroxy-4-(5-methyl-1H-indazol-6-yl)piperidine-1-carboxylate
CID 135274231
tert-butyl (1R,5R)-7-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 131166758
tert-butyl 2-pyrimidin-2-ylazetidine-1-carboxylate
CID 162700486
(2S,3S)-2-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51695333
(4R)-5-[(2-methylpropan-2-yl)oxycarbonyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
CID 141411274
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
tert-butyl 2-methyl-4-(1H-pyrazol-4-ylmethylamino)piperidine-1-carboxylate
CID 166514038
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
tert-butyl (2R)-2-(1H-pyrazol-4-yloxymethyl)azetidine-1-carboxylate
CID 171592876
potassium 2-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate
CID 4715370
tert-butyl 3-(aminomethyl)-2-(4-methylphenyl)pyrrolidine-1-carboxylate
CID 84814865

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate (CID 175337657) is tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate is Cc1cn[nH]c1C1CCN(C(=O)OC(C)(C)C)C1c1[nH]ncc1C.
What is the InChIKey of tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate?
The InChIKey is QXYJEXNXCHSNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10-8-18-20-13(10)12-6-7-22(16(23)24-17(3,4)5)15(12)14-11(2)9-19-21-14/h8-9,12,15H,6-7H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate?
tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3-bis(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 175337657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).