ABQLRKIYVVKDRJ-UHFFFAOYSA-N

Name: ABQLRKIYVVKDRJ-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₁₉ClN₄O₂ — CID 121435412

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

IUPAC3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

SMILESCCCC(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2

InChIInChI=1S/C17H19ClN4O2/c1-2-4-15(23)16-13-10-22(8-7-14(13)20-21-16)17(24)19-12-6-3-5-11(18)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,19,24)(H,20,21)

InChIKeyABQLRKIYVVKDRJ-UHFFFAOYSA-N

MW346.82 g/mol

LogP3.64

Rot. Bonds4

About ABQLRKIYVVKDRJ-UHFFFAOYSA-N

ABQLRKIYVVKDRJ-UHFFFAOYSA-N (PubChem CID 121435412) has the molecular formula C₁₇H₁₉ClN₄O₂ and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name	ABQLRKIYVVKDRJ-UHFFFAOYSA-N
PubChem CID	121435412
Molecular Formula	C₁₇H₁₉ClN₄O₂
Molecular Weight	346.82 g/mol
Exact Mass	346.12
IUPAC Name	3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILES	CCCC(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2
InChI	InChI=1S/C17H19ClN4O2/c1-2-4-15(23)16-13-10-22(8-7-14(13)20-21-16)17(24)19-12-6-3-5-11(18)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,19,24)(H,20,21)
InChIKey	ABQLRKIYVVKDRJ-UHFFFAOYSA-N
XLogP	3.64
TPSA	78.09 Å²
H-Bond Donors	2
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.82
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of ABQLRKIYVVKDRJ-UHFFFAOYSA-N?

The IUPAC name of ABQLRKIYVVKDRJ-UHFFFAOYSA-N (CID 121435412) is 3-butanoyl-N-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for ABQLRKIYVVKDRJ-UHFFFAOYSA-N?

The canonical SMILES for ABQLRKIYVVKDRJ-UHFFFAOYSA-N is CCCC(=O)c1n[nH]c2c1CN(C(=O)Nc1cccc(Cl)c1)CC2.

What is the InChIKey of ABQLRKIYVVKDRJ-UHFFFAOYSA-N?

The InChIKey is ABQLRKIYVVKDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-2-4-15(23)16-13-10-22(8-7-14(13)20-21-16)17(24)19-12-6-3-5-11(18)9-12/h3,5-6,9H,2,4,7-8,10H2,1H3,(H,19,24)(H,20,21).

What are the key properties of ABQLRKIYVVKDRJ-UHFFFAOYSA-N?

ABQLRKIYVVKDRJ-UHFFFAOYSA-N has a molecular weight of 346.82 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for ABQLRKIYVVKDRJ-UHFFFAOYSA-N is sourced from PubChem (CID 121435412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 121435412 — identifiers, structure, computed properties (public domain)

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