ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate

C17H30N4O3 — CID 142105050

IUPACethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate
SMILESCC.CCOC(=O)c1cn[nH]c1NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H24N4O3.C2H6/c1-4-22-15(21)12-9-16-18-13(12)17-14(20)11-5-7-19(8-6-11)10(2)3;1-2/h9-11H,4-8H2,1-3H3,(H2,16,17,18,20);1-2H3
InChIKeyXVLJZHCIYBMTAI-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.67
Rot. Bonds5

About ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate

ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate (PubChem CID 142105050) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate
PubChem CID142105050
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Nameethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate
SMILESCC.CCOC(=O)c1cn[nH]c1NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H24N4O3.C2H6/c1-4-22-15(21)12-9-16-18-13(12)17-14(20)11-5-7-19(8-6-11)10(2)3;1-2/h9-11H,4-8H2,1-3H3,(H2,16,17,18,20);1-2H3
InChIKeyXVLJZHCIYBMTAI-UHFFFAOYSA-N
XLogP2.67
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate (CID 142105050) is ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate is CC.CCOC(=O)c1cn[nH]c1NC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate?
The InChIKey is XVLJZHCIYBMTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3.C2H6/c1-4-22-15(21)12-9-16-18-13(12)17-14(20)11-5-7-19(8-6-11)10(2)3;1-2/h9-11H,4-8H2,1-3H3,(H2,16,17,18,20);1-2H3.
What are the key properties of ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate?
ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate has a molecular weight of 338.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 5-[(1-propan-2-ylpiperidine-4-carbonyl)amino]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 142105050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).