5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

C16H28N4O2 — CID 126805563

IUPAC5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCCc1[nH]ncc1C(=O)NC1CCN(CCOC(C)C)CC1
InChIInChI=1S/C16H28N4O2/c1-4-15-14(11-17-19-15)16(21)18-13-5-7-20(8-6-13)9-10-22-12(2)3/h11-13H,4-10H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyXQGTUOPVGICBOJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.59
Rot. Bonds7

About 5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 126805563) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID126805563
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESCCc1[nH]ncc1C(=O)NC1CCN(CCOC(C)C)CC1
InChIInChI=1S/C16H28N4O2/c1-4-15-14(11-17-19-15)16(21)18-13-5-7-20(8-6-13)9-10-22-12(2)3/h11-13H,4-10H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyXQGTUOPVGICBOJ-UHFFFAOYSA-N
XLogP1.59
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 126805563) is 5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is CCc1[nH]ncc1C(=O)NC1CCN(CCOC(C)C)CC1.
What is the InChIKey of 5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is XQGTUOPVGICBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-15-14(11-17-19-15)16(21)18-13-5-7-20(8-6-13)9-10-22-12(2)3/h11-13H,4-10H2,1-3H3,(H,17,19)(H,18,21).
What are the key properties of 5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 126805563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).