4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid

C19H15N3O3 — CID 10404574

IUPAC4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid
SMILESCNC(=O)c1ccc2c(c1)-c1[nH]nc(-c3ccc(C(=O)O)cc3)c1C2
InChIInChI=1S/C19H15N3O3/c1-20-18(23)13-7-6-12-8-15-16(21-22-17(15)14(12)9-13)10-2-4-11(5-3-10)19(24)25/h2-7,9H,8H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyWHKLSXAVMSNVOQ-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.71
Rot. Bonds3

About 4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid

4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid (PubChem CID 10404574) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid
PubChem CID10404574
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid
SMILESCNC(=O)c1ccc2c(c1)-c1[nH]nc(-c3ccc(C(=O)O)cc3)c1C2
InChIInChI=1S/C19H15N3O3/c1-20-18(23)13-7-6-12-8-15-16(21-22-17(15)14(12)9-13)10-2-4-11(5-3-10)19(24)25/h2-7,9H,8H2,1H3,(H,20,23)(H,21,22)(H,24,25)
InChIKeyWHKLSXAVMSNVOQ-UHFFFAOYSA-N
XLogP2.71
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid?
The IUPAC name of 4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid (CID 10404574) is 4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid?
The canonical SMILES for 4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid is CNC(=O)c1ccc2c(c1)-c1[nH]nc(-c3ccc(C(=O)O)cc3)c1C2.
What is the InChIKey of 4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid?
The InChIKey is WHKLSXAVMSNVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-20-18(23)13-7-6-12-8-15-16(21-22-17(15)14(12)9-13)10-2-4-11(5-3-10)19(24)25/h2-7,9H,8H2,1H3,(H,20,23)(H,21,22)(H,24,25).
What are the key properties of 4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid?
4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid has a molecular weight of 333.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(methylcarbamoyl)-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]benzoic acid is sourced from PubChem (CID 10404574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).