1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine

C18H29N3O — CID 177189575

IUPAC1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(C(C)C)ccn1.CC(C)c1ccnn1C
InChIInChI=1S/C11H17NO.C7H12N2/c1-8(2)10-5-6-12-11(7-10)13-9(3)4;1-6(2)7-4-5-8-9(7)3/h5-9H,1-4H3;4-6H,1-3H3
InChIKeyOVZAVIOTDNRVQV-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.54
Rot. Bonds4

About 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine

1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine (PubChem CID 177189575) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine.

Molecular Properties

Compound Name1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine
PubChem CID177189575
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine
SMILESCC(C)Oc1cc(C(C)C)ccn1.CC(C)c1ccnn1C
InChIInChI=1S/C11H17NO.C7H12N2/c1-8(2)10-5-6-12-11(7-10)13-9(3)4;1-6(2)7-4-5-8-9(7)3/h5-9H,1-4H3;4-6H,1-3H3
InChIKeyOVZAVIOTDNRVQV-UHFFFAOYSA-N
XLogP4.54
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-propan-2-yloxy-4-pyridinyl)propanoic acid
CID 83884295
(2-methylpyrazol-3-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63961352
(2S)-N-propan-2-yl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
CID 126654827
(2S)-N-ethyl-2-[(4-propan-2-yl-2-pyridinyl)oxy]propan-1-amine
CID 139545772
2-(2,2-dimethylpropoxy)-4-propan-2-ylpyridine
CID 134332018
ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
CID 176699176
5-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 116869119
2-(2-propan-2-yloxy-4-pyridinyl)-1,3-oxazole
CID 123773885
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
4-(2-methylpyrazol-3-yl)pentan-2-one
CID 64719612
1-[2-(difluoromethoxy)-4-pyridinyl]ethanamine
CID 162524387
N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 106756922

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine?
The IUPAC name of 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine (CID 177189575) is 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine.
What is the SMILES notation for 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine?
The canonical SMILES for 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine is CC(C)Oc1cc(C(C)C)ccn1.CC(C)c1ccnn1C.
What is the InChIKey of 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine?
The InChIKey is OVZAVIOTDNRVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C7H12N2/c1-8(2)10-5-6-12-11(7-10)13-9(3)4;1-6(2)7-4-5-8-9(7)3/h5-9H,1-4H3;4-6H,1-3H3.
What are the key properties of 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine?
1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine has a molecular weight of 303.45 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propan-2-ylpyrazole;4-propan-2-yl-2-propan-2-yloxypyridine is sourced from PubChem (CID 177189575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).