5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine

C11H14FN3 — CID 153408103

IUPAC5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine
SMILESCC(C)c1cn[nH]c1N1C=C(F)C=CC1
InChIInChI=1S/C11H14FN3/c1-8(2)10-6-13-14-11(10)15-5-3-4-9(12)7-15/h3-4,6-8H,5H2,1-2H3,(H,13,14)
InChIKeyWHCLZHXJKCDPQJ-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.72
Rot. Bonds2

About 5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine

5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine (PubChem CID 153408103) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine
PubChem CID153408103
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine
SMILESCC(C)c1cn[nH]c1N1C=C(F)C=CC1
InChIInChI=1S/C11H14FN3/c1-8(2)10-6-13-14-11(10)15-5-3-4-9(12)7-15/h3-4,6-8H,5H2,1-2H3,(H,13,14)
InChIKeyWHCLZHXJKCDPQJ-UHFFFAOYSA-N
XLogP2.72
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N,N-dimethyl-1H-pyrazol-5-amine
CID 58477470
1-(4-tert-butyl-1H-pyrazol-5-yl)piperidine
CID 58477491
4-tert-butyl-N-ethyl-N-methyl-1H-pyrazol-5-amine
CID 58477495
4-tert-butyl-5-pyrrolidin-1-yl-1H-pyrazole
CID 58477498
4-tert-butyl-N,N-diethyl-1H-pyrazol-5-amine
CID 58477506
4-ethyl-N,N-dimethyl-1H-pyrazol-5-amine
CID 68222969
4-ethyl-5-pyrrolidin-1-yl-1H-pyrazole
CID 68222975
1-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 68223079
4-ethyl-N-methyl-N-propyl-1H-pyrazol-5-amine
CID 68223082
N,4-diethyl-1H-pyrazol-5-amine
CID 68223083
N,N,4-triethyl-1H-pyrazol-5-amine
CID 68223089
4-propan-2-yl-5-pyrrolidin-1-yl-1H-pyrazole
CID 90729578

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine?
The IUPAC name of 5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine (CID 153408103) is 5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine is CC(C)c1cn[nH]c1N1C=C(F)C=CC1.
What is the InChIKey of 5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine?
The InChIKey is WHCLZHXJKCDPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-8(2)10-6-13-14-11(10)15-5-3-4-9(12)7-15/h3-4,6-8H,5H2,1-2H3,(H,13,14).
What are the key properties of 5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine?
5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine has a molecular weight of 207.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-propan-2-yl-1H-pyrazol-5-yl)-2H-pyridine is sourced from PubChem (CID 153408103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).