4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine

C15H21N3 — CID 122425562

IUPAC4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1nn(Cc2ccncc2)c(C)c1C(C)(C)C
InChIInChI=1S/C15H21N3/c1-11-14(15(3,4)5)12(2)18(17-11)10-13-6-8-16-9-7-13/h6-9H,10H2,1-5H3
InChIKeyCZAFTLOHWIVRSV-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.24
Rot. Bonds2

About 4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine

4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine (PubChem CID 122425562) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
PubChem CID122425562
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
SMILESCc1nn(Cc2ccncc2)c(C)c1C(C)(C)C
InChIInChI=1S/C15H21N3/c1-11-14(15(3,4)5)12(2)18(17-11)10-13-6-8-16-9-7-13/h6-9H,10H2,1-5H3
InChIKeyCZAFTLOHWIVRSV-UHFFFAOYSA-N
XLogP3.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The IUPAC name of 4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine (CID 122425562) is 4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine is Cc1nn(Cc2ccncc2)c(C)c1C(C)(C)C.
What is the InChIKey of 4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
The InChIKey is CZAFTLOHWIVRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-14(15(3,4)5)12(2)18(17-11)10-13-6-8-16-9-7-13/h6-9H,10H2,1-5H3.
What are the key properties of 4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine?
4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine has a molecular weight of 243.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 122425562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).