3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine

C12H14FN3 — CID 20771923

IUPAC3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine
SMILESCC(C)Cc1cnc(-n2cccn2)c(F)c1
InChIInChI=1S/C12H14FN3/c1-9(2)6-10-7-11(13)12(14-8-10)16-5-3-4-15-16/h3-5,7-9H,6H2,1-2H3
InChIKeyXDSVXOAFFXMTIX-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.60
Rot. Bonds3

About 3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine

3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine (PubChem CID 20771923) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine
PubChem CID20771923
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine
SMILESCC(C)Cc1cnc(-n2cccn2)c(F)c1
InChIInChI=1S/C12H14FN3/c1-9(2)6-10-7-11(13)12(14-8-10)16-5-3-4-15-16/h3-5,7-9H,6H2,1-2H3
InChIKeyXDSVXOAFFXMTIX-UHFFFAOYSA-N
XLogP2.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-3-methyl-2-pyrazol-1-ylpyridine
CID 80629454
N-[(5-bromo-2-pyrazol-1-yl-3-pyridinyl)methyl]-2-methylpropan-1-amine
CID 62294142
2-methyl-N-[(2-pyrazol-1-ylpyrimidin-5-yl)methyl]propan-1-amine
CID 113388292
1-[4-(bromomethyl)-2,6-difluorophenyl]pyrazole
CID 107085667
1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 63810541
3-(2-methylpropyl)quinoline
CID 12072851
2-[3-(2-methylpropyl)-5-(triazol-2-yl)phenyl]triazole
CID 147515450
4-(2-methylpropyl)-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 39328743
4-[(5-fluoro-6-pyrazol-1-yl-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 118123957
3-(2-methylpropyl)-1,10-phenanthroline
CID 174169966
3-chloro-2-pyrazol-1-yl-5-(trifluoromethyl)pyridine
CID 1478737
4-N-[(4-chloro-3-fluorophenyl)methyl]-4-N-methyl-6-pyrazol-1-ylpyrimidine-4,5-diamine
CID 133431082

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine?
The IUPAC name of 3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine (CID 20771923) is 3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine.
What is the SMILES notation for 3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine?
The canonical SMILES for 3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine is CC(C)Cc1cnc(-n2cccn2)c(F)c1.
What is the InChIKey of 3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine?
The InChIKey is XDSVXOAFFXMTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-9(2)6-10-7-11(13)12(14-8-10)16-5-3-4-15-16/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine?
3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine has a molecular weight of 219.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methylpropyl)-2-pyrazol-1-ylpyridine is sourced from PubChem (CID 20771923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).