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

C17H17ClFN5O — CID 164719549

IUPAC1-[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
InChIInChI=1S/C17H17ClFN5O/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/h6-9H,4-5H2,1-3H3
InChIKeyLAPRXHRKZGOHEC-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.28
Rot. Bonds5

About 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]ethanone (PubChem CID 164719549) has the molecular formula C17H17ClFN5O and a molecular weight of 361.81 g/mol. Its IUPAC name is 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]ethanone
PubChem CID164719549
Molecular FormulaC17H17ClFN5O
Molecular Weight361.81 g/mol
Exact Mass361.11
IUPAC Name1-[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
InChIInChI=1S/C17H17ClFN5O/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/h6-9H,4-5H2,1-3H3
InChIKeyLAPRXHRKZGOHEC-UHFFFAOYSA-N
XLogP3.28
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]ethanone?
The IUPAC name of 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone (CID 164719549) is 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]ethanone?
The canonical SMILES for 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.
What is the InChIKey of 1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone?
The InChIKey is LAPRXHRKZGOHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O/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/h6-9H,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]ethanone?
1-[2-[4-[(3-chloro-1-ethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-yl]-5-fluoro-3-pyridinyl]ethanone has a molecular weight of 361.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 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]ethanone is sourced from PubChem (CID 164719549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).