5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine

C16H14ClFN4O — CID 139010286

IUPAC5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(-n2ccc(CNc3ncc(Cl)cc3F)n2)cc1
InChIInChI=1S/C16H14ClFN4O/c1-23-14-4-2-13(3-5-14)22-7-6-12(21-22)10-20-16-15(18)8-11(17)9-19-16/h2-9H,10H2,1H3,(H,19,20)
InChIKeyUVSIYWNYLZCLSM-UHFFFAOYSA-N
MW332.77 g/mol
LogP3.68
Rot. Bonds5

About 5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine

5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine (PubChem CID 139010286) has the molecular formula C16H14ClFN4O and a molecular weight of 332.77 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine
PubChem CID139010286
Molecular FormulaC16H14ClFN4O
Molecular Weight332.77 g/mol
Exact Mass332.08
IUPAC Name5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine
SMILESCOc1ccc(-n2ccc(CNc3ncc(Cl)cc3F)n2)cc1
InChIInChI=1S/C16H14ClFN4O/c1-23-14-4-2-13(3-5-14)22-7-6-12(21-22)10-20-16-15(18)8-11(17)9-19-16/h2-9H,10H2,1H3,(H,19,20)
InChIKeyUVSIYWNYLZCLSM-UHFFFAOYSA-N
XLogP3.68
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine (CID 139010286) is 5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine is COc1ccc(-n2ccc(CNc3ncc(Cl)cc3F)n2)cc1.
What is the InChIKey of 5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine?
The InChIKey is UVSIYWNYLZCLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O/c1-23-14-4-2-13(3-5-14)22-7-6-12(21-22)10-20-16-15(18)8-11(17)9-19-16/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine has a molecular weight of 332.77 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 139010286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).