2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid

C14H17N3O3 — CID 19624603

IUPAC2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid
SMILESCCCn1ccc(CNc2ccc(C(=O)O)c(O)c2)n1
InChIInChI=1S/C14H17N3O3/c1-2-6-17-7-5-11(16-17)9-15-10-3-4-12(14(19)20)13(18)8-10/h3-5,7-8,15,18H,2,6,9H2,1H3,(H,19,20)
InChIKeyIHCIOBSHTVDJEL-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.31
Rot. Bonds6

About 2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid

2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid (PubChem CID 19624603) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid
PubChem CID19624603
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid
SMILESCCCn1ccc(CNc2ccc(C(=O)O)c(O)c2)n1
InChIInChI=1S/C14H17N3O3/c1-2-6-17-7-5-11(16-17)9-15-10-3-4-12(14(19)20)13(18)8-10/h3-5,7-8,15,18H,2,6,9H2,1H3,(H,19,20)
InChIKeyIHCIOBSHTVDJEL-UHFFFAOYSA-N
XLogP2.31
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid (CID 19624603) is 2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid is CCCn1ccc(CNc2ccc(C(=O)O)c(O)c2)n1.
What is the InChIKey of 2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid?
The InChIKey is IHCIOBSHTVDJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-6-17-7-5-11(16-17)9-15-10-3-4-12(14(19)20)13(18)8-10/h3-5,7-8,15,18H,2,6,9H2,1H3,(H,19,20).
What are the key properties of 2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid?
2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid has a molecular weight of 275.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(1-propylpyrazol-3-yl)methylamino]benzoic acid is sourced from PubChem (CID 19624603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).