2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid

C16H23N3O4 — CID 120521611

IUPAC2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccnn2C2CCCC2)CCOCC1
InChIInChI=1S/C16H23N3O4/c20-14(21)11-16(6-9-23-10-7-16)18-15(22)13-5-8-17-19(13)12-3-1-2-4-12/h5,8,12H,1-4,6-7,9-11H2,(H,18,22)(H,20,21)
InChIKeyNCKCIWCPECJNFK-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.75
Rot. Bonds5

About 2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid

2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 120521611) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid
PubChem CID120521611
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccnn2C2CCCC2)CCOCC1
InChIInChI=1S/C16H23N3O4/c20-14(21)11-16(6-9-23-10-7-16)18-15(22)13-5-8-17-19(13)12-3-1-2-4-12/h5,8,12H,1-4,6-7,9-11H2,(H,18,22)(H,20,21)
InChIKeyNCKCIWCPECJNFK-UHFFFAOYSA-N
XLogP1.75
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid (CID 120521611) is 2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid is O=C(O)CC1(NC(=O)c2ccnn2C2CCCC2)CCOCC1.
What is the InChIKey of 2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is NCKCIWCPECJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-14(21)11-16(6-9-23-10-7-16)18-15(22)13-5-8-17-19(13)12-3-1-2-4-12/h5,8,12H,1-4,6-7,9-11H2,(H,18,22)(H,20,21).
What are the key properties of 2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 321.38 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 120521611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).