3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine

C13H16FN3 — CID 58333541

IUPAC3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine
SMILESCc1cnn(Cc2cnc(C(C)C)c(F)c2)c1
InChIInChI=1S/C13H16FN3/c1-9(2)13-12(14)4-11(6-15-13)8-17-7-10(3)5-16-17/h4-7,9H,8H2,1-3H3
InChIKeySMTAVUNCCKSCJE-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.90
Rot. Bonds3

About 3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine

3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine (PubChem CID 58333541) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine
PubChem CID58333541
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine
SMILESCc1cnn(Cc2cnc(C(C)C)c(F)c2)c1
InChIInChI=1S/C13H16FN3/c1-9(2)13-12(14)4-11(6-15-13)8-17-7-10(3)5-16-17/h4-7,9H,8H2,1-3H3
InChIKeySMTAVUNCCKSCJE-UHFFFAOYSA-N
XLogP2.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine?
The IUPAC name of 3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine (CID 58333541) is 3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine.
What is the SMILES notation for 3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine?
The canonical SMILES for 3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine is Cc1cnn(Cc2cnc(C(C)C)c(F)c2)c1.
What is the InChIKey of 3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine?
The InChIKey is SMTAVUNCCKSCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(2)13-12(14)4-11(6-15-13)8-17-7-10(3)5-16-17/h4-7,9H,8H2,1-3H3.
What are the key properties of 3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine?
3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine has a molecular weight of 233.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(4-methylpyrazol-1-yl)methyl]-2-propan-2-ylpyridine is sourced from PubChem (CID 58333541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).