tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane

C27H41N5O4 — CID 143263584

IUPACtert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane
SMILESCC.CCc1cccc(CC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H35N5O4.C2H6/c1-6-16-9-8-10-17(7-2)20(16)22(31)28-19-15-26-29-21(19)23(32)27-18-11-13-30(14-12-18)24(33)34-25(3,4)5;1-2/h8-10,15,18H,6-7,11-14H2,1-5H3,(H,26,29)(H,27,32)(H,28,31);1-2H3
InChIKeyIZWJXZXQBWDMDE-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.94
Rot. Bonds6

About tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane

tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane (PubChem CID 143263584) has the molecular formula C27H41N5O4 and a molecular weight of 499.66 g/mol. Its IUPAC name is tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane
PubChem CID143263584
Molecular FormulaC27H41N5O4
Molecular Weight499.66 g/mol
Exact Mass499.32
IUPAC Nametert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane
SMILESCC.CCc1cccc(CC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C25H35N5O4.C2H6/c1-6-16-9-8-10-17(7-2)20(16)22(31)28-19-15-26-29-21(19)23(32)27-18-11-13-30(14-12-18)24(33)34-25(3,4)5;1-2/h8-10,15,18H,6-7,11-14H2,1-5H3,(H,26,29)(H,27,32)(H,28,31);1-2H3
InChIKeyIZWJXZXQBWDMDE-UHFFFAOYSA-N
XLogP4.94
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 11719428
tert-butyl 4-[[4-(2-hydroxyethynylamino)-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;1,3-dichloro-2-methylbenzene;ethane
CID 143263462
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167676
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167716
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]acetic acid
CID 155229791
bis(4-[(2,6-dichlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide);methane
CID 160548828
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 53255865
tert-butyl 4-[(5-iodo-1H-pyrazol-4-yl)methyl]piperidine-1-carboxylate
CID 121305491
tert-butyl 4-[[2-(methylamino)benzoyl]amino]piperidine-1-carboxylate
CID 126805389
N-(4-tert-butylcyclohexyl)-4-[(2-fluoro-6-methoxybenzoyl)amino]-1H-pyrazole-5-carboxamide;molecular hydrogen
CID 162148706
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862729
ethyl 6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoyl]pyridine-2-carboxylate
CID 59406435

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane (CID 143263584) is tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane is CC.CCc1cccc(CC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane?
The InChIKey is IZWJXZXQBWDMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O4.C2H6/c1-6-16-9-8-10-17(7-2)20(16)22(31)28-19-15-26-29-21(19)23(32)27-18-11-13-30(14-12-18)24(33)34-25(3,4)5;1-2/h8-10,15,18H,6-7,11-14H2,1-5H3,(H,26,29)(H,27,32)(H,28,31);1-2H3.
What are the key properties of tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane?
tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane has a molecular weight of 499.66 g/mol, XLogP of 4.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-[(2,6-diethylbenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate;ethane is sourced from PubChem (CID 143263584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).