5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine

C19H21N3O — CID 155790764

IUPAC5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
SMILESCC(C)(C)c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C19H21N3O/c1-19(2,3)15-6-4-14(5-7-15)13-23-16-8-9-17(20-12-16)18-10-11-21-22-18/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyKEYNVQPDXSBWKP-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.35
Rot. Bonds4

About 5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine

5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine (PubChem CID 155790764) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
PubChem CID155790764
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
SMILESCC(C)(C)c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1
InChIInChI=1S/C19H21N3O/c1-19(2,3)15-6-4-14(5-7-15)13-23-16-8-9-17(20-12-16)18-10-11-21-22-18/h4-12H,13H2,1-3H3,(H,21,22)
InChIKeyKEYNVQPDXSBWKP-UHFFFAOYSA-N
XLogP4.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526977
5-[(3-methylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360604
2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526497
4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
CID 147289846
2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid
CID 154931289
ethyl (E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoate
CID 142527004
2,2-dimethyl-3-[5-methyl-7-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropanoic acid
CID 154931184
6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
CID 142527040
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
2,2-bis(methoxymethyl)-10-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]decanenitrile
CID 155658275
N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide
CID 152802846

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine (CID 155790764) is 5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine is CC(C)(C)c1ccc(COc2ccc(-c3ccn[nH]3)nc2)cc1.
What is the InChIKey of 5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine?
The InChIKey is KEYNVQPDXSBWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2,3)15-6-4-14(5-7-15)13-23-16-8-9-17(20-12-16)18-10-11-21-22-18/h4-12H,13H2,1-3H3,(H,21,22).
What are the key properties of 5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine?
5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine has a molecular weight of 307.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 155790764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).