1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone

C34H36Cl2F2N10O2 — CID 164985669

IUPAC1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone
SMILESCCn1cc(Cc2cn(C)nc2-c2ncc(F)cc2C(C)=O)c(Cl)n1.CCn1cc(Cc2cn(C)nc2-c2ncc(F)cc2C(C)O)c(Cl)n1
InChIInChI=1S/C17H19ClFN5O.C17H17ClFN5O/c2*1-4-24-9-12(17(18)22-24)5-11-8-23(3)21-15(11)16-14(10(2)25)6-13(19)7-20-16/h6-10,25H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3
InChIKeyGCYQORAZIPIFCR-UHFFFAOYSA-N
MW725.63 g/mol
LogP6.42
Rot. Bonds10

About 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone

1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone (PubChem CID 164985669) has the molecular formula C34H36Cl2F2N10O2 and a molecular weight of 725.63 g/mol. Its IUPAC name is 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone
PubChem CID164985669
Molecular FormulaC34H36Cl2F2N10O2
Molecular Weight725.63 g/mol
Exact Mass724.24
IUPAC Name1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone
SMILESCCn1cc(Cc2cn(C)nc2-c2ncc(F)cc2C(C)=O)c(Cl)n1.CCn1cc(Cc2cn(C)nc2-c2ncc(F)cc2C(C)O)c(Cl)n1
InChIInChI=1S/C17H19ClFN5O.C17H17ClFN5O/c2*1-4-24-9-12(17(18)22-24)5-11-8-23(3)21-15(11)16-14(10(2)25)6-13(19)7-20-16/h6-10,25H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3
InChIKeyGCYQORAZIPIFCR-UHFFFAOYSA-N
XLogP6.42
TPSA134.36 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500725.63
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone with MolForge

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Related Compounds

1-[2-[5-[(3-Chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol;1-[2-[5-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone
CID 165081717

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone (CID 164985669) is 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone is CCn1cc(Cc2cn(C)nc2-c2ncc(F)cc2C(C)=O)c(Cl)n1.CCn1cc(Cc2cn(C)nc2-c2ncc(F)cc2C(C)O)c(Cl)n1.
What is the InChIKey of 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone?
The InChIKey is GCYQORAZIPIFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O.C17H17ClFN5O/c2*1-4-24-9-12(17(18)22-24)5-11-8-23(3)21-15(11)16-14(10(2)25)6-13(19)7-20-16/h6-10,25H,4-5H2,1-3H3;6-9H,4-5H2,1-3H3.
What are the key properties of 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone?
1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone has a molecular weight of 725.63 g/mol, XLogP of 6.42, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol;1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone is sourced from PubChem (CID 164985669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).