5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid

C17H24N4O4 — CID 166290611

IUPAC5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCN(C(=O)N3CCOC(C4CC4)C3)CC2)[nH]n1
InChIInChI=1S/C17H24N4O4/c22-16(23)14-9-13(18-19-14)11-3-5-20(6-4-11)17(24)21-7-8-25-15(10-21)12-1-2-12/h9,11-12,15H,1-8,10H2,(H,18,19)(H,22,23)
InChIKeyZWAKHEDBIXMETJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.52
Rot. Bonds3

About 5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid

5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid (PubChem CID 166290611) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
PubChem CID166290611
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Name5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(C2CCN(C(=O)N3CCOC(C4CC4)C3)CC2)[nH]n1
InChIInChI=1S/C17H24N4O4/c22-16(23)14-9-13(18-19-14)11-3-5-20(6-4-11)17(24)21-7-8-25-15(10-21)12-1-2-12/h9,11-12,15H,1-8,10H2,(H,18,19)(H,22,23)
InChIKeyZWAKHEDBIXMETJ-UHFFFAOYSA-N
XLogP1.52
TPSA98.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid (CID 166290611) is 5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(C2CCN(C(=O)N3CCOC(C4CC4)C3)CC2)[nH]n1.
What is the InChIKey of 5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid?
The InChIKey is ZWAKHEDBIXMETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c22-16(23)14-9-13(18-19-14)11-3-5-20(6-4-11)17(24)21-7-8-25-15(10-21)12-1-2-12/h9,11-12,15H,1-8,10H2,(H,18,19)(H,22,23).
What are the key properties of 5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid?
5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-cyclopropylmorpholine-4-carbonyl)piperidin-4-yl]-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 166290611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).