1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine

C15H23N3 — CID 163486860

IUPAC1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine
SMILESCC(C)c1ccncc1.CC(C)c1cnn(C)c1
InChIInChI=1S/C8H11N.C7H12N2/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7/h3-7H,1-2H3;4-6H,1-3H3
InChIKeyCJGWYCCAWZEKGG-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.75
Rot. Bonds2

About 1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine

1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine (PubChem CID 163486860) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine.

Molecular Properties

Compound Name1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine
PubChem CID163486860
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine
SMILESCC(C)c1ccncc1.CC(C)c1cnn(C)c1
InChIInChI=1S/C8H11N.C7H12N2/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7/h3-7H,1-2H3;4-6H,1-3H3
InChIKeyCJGWYCCAWZEKGG-UHFFFAOYSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole
CID 163865872
1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethanamine
CID 62551755
tris(4-propan-2-ylpyridine);trichlorochromium
CID 19688799
N-[1-(1-methylpyrazol-4-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 62551417
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
ethane;1-fluoro-1-propan-2-ylcyclobutane;1-methyl-4-propan-2-ylpyrazole;2-propan-2-ylpyridine
CID 169165899
3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine
CID 59333396
(4-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088026
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
2-methyl-1,3-dioxolane;4-propan-2-ylpyridine
CID 167569960
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-1-methylpyrazol-4-amine
CID 82538513
(1R)-1-pyridin-4-ylethanethiol
CID 92977193

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine?
The IUPAC name of 1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine (CID 163486860) is 1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine.
What is the SMILES notation for 1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine?
The canonical SMILES for 1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine is CC(C)c1ccncc1.CC(C)c1cnn(C)c1.
What is the InChIKey of 1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine?
The InChIKey is CJGWYCCAWZEKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C7H12N2/c1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-8-9(3)5-7/h3-7H,1-2H3;4-6H,1-3H3.
What are the key properties of 1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine?
1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine has a molecular weight of 245.37 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-propan-2-ylpyrazole;4-propan-2-ylpyridine is sourced from PubChem (CID 163486860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).