2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid

C20H21N5O2 — CID 72863655

IUPAC2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(-c2ccn[nH]2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H21N5O2/c26-20(27)19(16-6-4-15(5-7-16)17-8-10-22-23-17)25-13-11-24(12-14-25)18-3-1-2-9-21-18/h1-10,19H,11-14H2,(H,22,23)(H,26,27)
InChIKeyYQXLAQFYPZKVSH-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid

2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid (PubChem CID 72863655) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
PubChem CID72863655
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)C(c1ccc(-c2ccn[nH]2)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H21N5O2/c26-20(27)19(16-6-4-15(5-7-16)17-8-10-22-23-17)25-13-11-24(12-14-25)18-3-1-2-9-21-18/h1-10,19H,11-14H2,(H,22,23)(H,26,27)
InChIKeyYQXLAQFYPZKVSH-UHFFFAOYSA-N
XLogP2.42
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid with MolForge

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Related Compounds

US11365185, Example 13B
CID 137534625
US11365185, Example 21B
CID 137534695
US11365185, Example 4B
CID 137534730
US11365185, Example 12B
CID 137546536
(2R,3S)-1-[5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-yl]pyrimidin-4-yl]-3-methylpiperidine-2-carboxylic acid
CID 90446034
US10246456, Example 273
CID 118664131
US11365185, Example 19B
CID 137534641
US11365185, Example 27B
CID 137534698
US11365185, Example 26B
CID 137546719
US11365185, Example 17B
CID 152597581
2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]-2-[4-(1H-pyrazol-5-yl)phenyl]acetic acid
CID 72880555
(2R)-2-[[3-(1-methylpyrazol-4-yl)benzoyl]amino]-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid
CID 134394634

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid (CID 72863655) is 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid is O=C(O)C(c1ccc(-c2ccn[nH]2)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
The InChIKey is YQXLAQFYPZKVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(27)19(16-6-4-15(5-7-16)17-8-10-22-23-17)25-13-11-24(12-14-25)18-3-1-2-9-21-18/h1-10,19H,11-14H2,(H,22,23)(H,26,27).
What are the key properties of 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid has a molecular weight of 363.42 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-yl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 72863655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).