2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

C20H21N5O3 — CID 126454332

IUPAC2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C20H21N5O3/c26-19(27)14-25-18(7-9-22-25)16-5-2-10-23(13-16)20(28)15-4-1-6-17(12-15)24-11-3-8-21-24/h1,3-4,6-9,11-12,16H,2,5,10,13-14H2,(H,26,27)/t16-/m1/s1
InChIKeyCHOSCRMAEWYPDT-MRXNPFEDSA-N
MW379.42 g/mol
LogP2.17
Rot. Bonds5

About 2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid

2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (PubChem CID 126454332) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
PubChem CID126454332
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1
InChIInChI=1S/C20H21N5O3/c26-19(27)14-25-18(7-9-22-25)16-5-2-10-23(13-16)20(28)15-4-1-6-17(12-15)24-11-3-8-21-24/h1,3-4,6-9,11-12,16H,2,5,10,13-14H2,(H,26,27)/t16-/m1/s1
InChIKeyCHOSCRMAEWYPDT-MRXNPFEDSA-N
XLogP2.17
TPSA93.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[1-[3-(1H-pyrazol-4-yl)benzoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119066861
(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 124576728
2-[5-[(3S)-1-(2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126448346
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 124689004
1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 126768644
(3R)-1-(3-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 129350524
2-[(2R)-4-(3-pyrazol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 124705020
2-[5-[(3S)-1-(2-indol-1-ylacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429492
2-[5-[(3R)-1-(2-benzamidoacetyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126439207
2-[5-[1-(pyrazine-2-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 119064555
2-[5-[(3R)-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126432962
2-[5-[(3R)-1-(2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126429586

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid (CID 126454332) is 2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is O=C(O)Cn1nccc1[C@@H]1CCCN(C(=O)c2cccc(-n3cccn3)c2)C1.
What is the InChIKey of 2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
The InChIKey is CHOSCRMAEWYPDT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-19(27)14-25-18(7-9-22-25)16-5-2-10-23(13-16)20(28)15-4-1-6-17(12-15)24-11-3-8-21-24/h1,3-4,6-9,11-12,16H,2,5,10,13-14H2,(H,26,27)/t16-/m1/s1.
What are the key properties of 2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid?
2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid has a molecular weight of 379.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3R)-1-(3-pyrazol-1-ylbenzoyl)piperidin-3-yl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 126454332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).