4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid

Name: 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₂₀N₄O₂ — CID 110091162

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid

SMILESO=C(O)c1ccc(CN2CCC(c3ccnc4ccnn34)CC2)cc1

InChIInChI=1S/C19H20N4O2/c24-19(25)16-3-1-14(2-4-16)13-22-11-7-15(8-12-22)17-5-9-20-18-6-10-21-23(17)18/h1-6,9-10,15H,7-8,11-13H2,(H,24,25)

InChIKeyMKPZARXGHUXCOX-UHFFFAOYSA-N

MW336.40 g/mol

LogP2.81

Rot. Bonds4

About 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid

4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid (PubChem CID 110091162) has the molecular formula C₁₉H₂₀N₄O₂ and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name	4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid
PubChem CID	110091162
Molecular Formula	C₁₉H₂₀N₄O₂
Molecular Weight	336.40 g/mol
Exact Mass	336.16
IUPAC Name	4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid
SMILES	O=C(O)c1ccc(CN2CCC(c3ccnc4ccnn34)CC2)cc1
InChI	InChI=1S/C19H20N4O2/c24-19(25)16-3-1-14(2-4-16)13-22-11-7-15(8-12-22)17-5-9-20-18-6-10-21-23(17)18/h1-6,9-10,15H,7-8,11-13H2,(H,24,25)
InChIKey	MKPZARXGHUXCOX-UHFFFAOYSA-N
XLogP	2.81
TPSA	70.73 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	4
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.40
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?

The IUPAC name of 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid (CID 110091162) is 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid.

What is the SMILES notation for 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?

The canonical SMILES for 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid is O=C(O)c1ccc(CN2CCC(c3ccnc4ccnn34)CC2)cc1.

What is the InChIKey of 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?

The InChIKey is MKPZARXGHUXCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(25)16-3-1-14(2-4-16)13-22-11-7-15(8-12-22)17-5-9-20-18-6-10-21-23(17)18/h1-6,9-10,15H,7-8,11-13H2,(H,24,25).

What are the key properties of 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid?

4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid has a molecular weight of 336.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methyl]benzoic acid is sourced from PubChem (CID 110091162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 110091162 — identifiers, structure, computed properties (public domain)

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