3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine

C19H19N3O — CID 70813138

IUPAC3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine
SMILESCn1cc(-c2ccncc2C2CC2)c(OCc2ccccc2)n1
InChIInChI=1S/C19H19N3O/c1-22-12-18(16-9-10-20-11-17(16)15-7-8-15)19(21-22)23-13-14-5-3-2-4-6-14/h2-6,9-12,15H,7-8,13H2,1H3
InChIKeyUUAUHDMFSZBAMZ-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.94
Rot. Bonds5

About 3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine

3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine (PubChem CID 70813138) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine
PubChem CID70813138
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine
SMILESCn1cc(-c2ccncc2C2CC2)c(OCc2ccccc2)n1
InChIInChI=1S/C19H19N3O/c1-22-12-18(16-9-10-20-11-17(16)15-7-8-15)19(21-22)23-13-14-5-3-2-4-6-14/h2-6,9-12,15H,7-8,13H2,1H3
InChIKeyUUAUHDMFSZBAMZ-UHFFFAOYSA-N
XLogP3.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine?
The IUPAC name of 3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine (CID 70813138) is 3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine.
What is the SMILES notation for 3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine?
The canonical SMILES for 3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine is Cn1cc(-c2ccncc2C2CC2)c(OCc2ccccc2)n1.
What is the InChIKey of 3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine?
The InChIKey is UUAUHDMFSZBAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-22-12-18(16-9-10-20-11-17(16)15-7-8-15)19(21-22)23-13-14-5-3-2-4-6-14/h2-6,9-12,15H,7-8,13H2,1H3.
What are the key properties of 3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine?
3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine has a molecular weight of 305.38 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(1-methyl-3-phenylmethoxypyrazol-4-yl)pyridine is sourced from PubChem (CID 70813138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).