2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

C19H17N3O3 — CID 90204958

IUPAC2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2)c1
InChIInChI=1S/C19H17N3O3/c23-19(24)16-7-9-20-17(11-16)22-18(8-10-21-22)25-12-13-1-3-14(4-2-13)15-5-6-15/h1-4,7-11,15H,5-6,12H2,(H,23,24)
InChIKeyYSLNSTXNXMRWMU-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.42
Rot. Bonds6

About 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid

2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (PubChem CID 90204958) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
PubChem CID90204958
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2)c1
InChIInChI=1S/C19H17N3O3/c23-19(24)16-7-9-20-17(11-16)22-18(8-10-21-22)25-12-13-1-3-14(4-2-13)15-5-6-15/h1-4,7-11,15H,5-6,12H2,(H,23,24)
InChIKeyYSLNSTXNXMRWMU-UHFFFAOYSA-N
XLogP3.42
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid (CID 90204958) is 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-n2nccc2OCc2ccc(C3CC3)cc2)c1.
What is the InChIKey of 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
The InChIKey is YSLNSTXNXMRWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19(24)16-7-9-20-17(11-16)22-18(8-10-21-22)25-12-13-1-3-14(4-2-13)15-5-6-15/h1-4,7-11,15H,5-6,12H2,(H,23,24).
What are the key properties of 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid?
2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-cyclopropylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90204958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).