tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate

C16H26N4O3 — CID 86781478

IUPACtert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate
SMILESCc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cnn1C
InChIInChI=1S/C16H26N4O3/c1-11-10-19(15(22)23-16(3,4)5)7-8-20(11)14(21)13-9-17-18(6)12(13)2/h9,11H,7-8,10H2,1-6H3/t11-/m1/s1
InChIKeyWSJATEFLBBMHTM-LLVKDONJSA-N
MW322.41 g/mol
LogP1.81
Rot. Bonds1

About tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate

tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate (PubChem CID 86781478) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate
PubChem CID86781478
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nametert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate
SMILESCc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cnn1C
InChIInChI=1S/C16H26N4O3/c1-11-10-19(15(22)23-16(3,4)5)7-8-20(11)14(21)13-9-17-18(6)12(13)2/h9,11H,7-8,10H2,1-6H3/t11-/m1/s1
InChIKeyWSJATEFLBBMHTM-LLVKDONJSA-N
XLogP1.81
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-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 1-methyl-4-oxo-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 69346852
tert-butyl 3-formyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 72211567
1-{1-[(tert-butoxy)carbonyl]piperidin-4-yl}-5-methyl-1H-pyrazole-4-carboxylic acid
CID 146081933
N-[2-(2,6-dimethylmorpholin-4-yl)propyl]-1,5-dimethylpyrazole-4-carboxamide
CID 47028290
1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)carbonyl]-4-(tetrahydrofuran-2-ylmethyl)piperazine
CID 50979496
(1,5-Dimethylpyrazol-4-yl)-(2-ethylpiperidin-1-yl)methanone
CID 51075761
N-cyclohexyl-N,1,5-trimethylpyrazole-4-carboxamide
CID 51075762
1,5-dimethyl-N,N-dipropylpyrazole-4-carboxamide
CID 51076097
N,N-bis(2-methoxyethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 51076099
1-[4-(1-Tert-butyl-5-methylpyrazole-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56814051
1-cyclopentyl-4-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]piperazine
CID 72837249
1'-[(5-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]-1,4'-bipiperidine
CID 72843662

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate (CID 86781478) is tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate is Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cnn1C.
What is the InChIKey of tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate?
The InChIKey is WSJATEFLBBMHTM-LLVKDONJSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-11-10-19(15(22)23-16(3,4)5)7-8-20(11)14(21)13-9-17-18(6)12(13)2/h9,11H,7-8,10H2,1-6H3/t11-/m1/s1.
What are the key properties of tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate?
tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate has a molecular weight of 322.41 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate is sourced from PubChem (CID 86781478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).