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

C17H19ClFN5O — CID 164719168

IUPAC1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol
SMILESCCn1cc(Cc2cn(C)nc2-c2ncc(F)cc2C(C)O)c(Cl)n1
InChIInChI=1S/C17H19ClFN5O/c1-4-24-9-12(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
InChIKeyNCNURKCKZSIWPR-UHFFFAOYSA-N
MW363.82 g/mol
LogP3.14
Rot. Bonds5

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]ethanol (PubChem CID 164719168) has the molecular formula C17H19ClFN5O and a molecular weight of 363.82 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.

Molecular Properties

Compound Name1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol
PubChem CID164719168
Molecular FormulaC17H19ClFN5O
Molecular Weight363.82 g/mol
Exact Mass363.13
IUPAC Name1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol
SMILESCCn1cc(Cc2cn(C)nc2-c2ncc(F)cc2C(C)O)c(Cl)n1
InChIInChI=1S/C17H19ClFN5O/c1-4-24-9-12(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
InChIKeyNCNURKCKZSIWPR-UHFFFAOYSA-N
XLogP3.14
TPSA68.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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?
The IUPAC name of 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol (CID 164719168) is 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol.
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?
The canonical SMILES for 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanol is 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?
The InChIKey is NCNURKCKZSIWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN5O/c1-4-24-9-12(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.
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]ethanol has a molecular weight of 363.82 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 164719168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).