tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate

C19H33N5O3 — CID 55991925

IUPACtert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate
SMILESCC(C)Cc1cc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1
InChIInChI=1S/C19H33N5O3/c1-14(2)12-15-13-16(22-21-15)17(25)20-6-7-23-8-10-24(11-9-23)18(26)27-19(3,4)5/h13-14H,6-12H2,1-5H3,(H,20,25)(H,21,22)
InChIKeyMIZRLMAYSOKRIZ-UHFFFAOYSA-N
MW379.51 g/mol
LogP1.89
Rot. Bonds6

About tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate (PubChem CID 55991925) has the molecular formula C19H33N5O3 and a molecular weight of 379.51 g/mol. Its IUPAC name is tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate
PubChem CID55991925
Molecular FormulaC19H33N5O3
Molecular Weight379.51 g/mol
Exact Mass379.26
IUPAC Nametert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate
SMILESCC(C)Cc1cc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1
InChIInChI=1S/C19H33N5O3/c1-14(2)12-15-13-16(22-21-15)17(25)20-6-7-23-8-10-24(11-9-23)18(26)27-19(3,4)5/h13-14H,6-12H2,1-5H3,(H,20,25)(H,21,22)
InChIKeyMIZRLMAYSOKRIZ-UHFFFAOYSA-N
XLogP1.89
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[2-(2H-benzotriazole-5-carbonylamino)ethyl]piperazine-1-carboxylate
CID 55990770
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5-(2-methylpropyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 91839647
tert-butyl 4-[(3-ethoxycarbonyl-1H-pyrazol-5-yl)methyl]piperazine-1-carboxylate
CID 134413991
tert-butyl 4-[2-[(4-prop-2-enoxybenzoyl)amino]ethyl]piperazine-1-carboxylate
CID 55990649
tert-butyl 4-[3-[(6-methylpyridine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 60518283
tert-butyl 4-[2-[(2-chloropyridine-3-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 138585805
tert-butyl 4-[2-[(4,6-dimethyl-1H-indole-2-carbonyl)amino]ethyl]piperazine-1-carboxylate
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tert-butyl 4-[2-[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]ethyl]piperazine-1-carboxylate;hydroiodide
CID 111181092
tert-butyl 4-[3-[(3-aminopyrazine-2-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55736601
tert-butyl 4-[2-(5-methylhexan-2-ylamino)ethyl]piperazine-1-carboxylate
CID 107243559
N-[2-(4-methylphenyl)sulfanylethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate (CID 55991925) is tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate is CC(C)Cc1cc(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1.
What is the InChIKey of tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate?
The InChIKey is MIZRLMAYSOKRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O3/c1-14(2)12-15-13-16(22-21-15)17(25)20-6-7-23-8-10-24(11-9-23)18(26)27-19(3,4)5/h13-14H,6-12H2,1-5H3,(H,20,25)(H,21,22).
What are the key properties of tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate has a molecular weight of 379.51 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 55991925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).