3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine

C9H8ClFN4 — CID 67499763

IUPAC3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine
SMILESCNc1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C9H8ClFN4/c1-12-8-5-15(14-9(8)10)7-2-6(11)3-13-4-7/h2-5,12H,1H3
InChIKeyHVCYEQIOCCVBGB-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.10
Rot. Bonds2

About 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine

3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine (PubChem CID 67499763) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine
PubChem CID67499763
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine
SMILESCNc1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C9H8ClFN4/c1-12-8-5-15(14-9(8)10)7-2-6(11)3-13-4-7/h2-5,12H,1H3
InChIKeyHVCYEQIOCCVBGB-UHFFFAOYSA-N
XLogP2.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine?
The IUPAC name of 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine (CID 67499763) is 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine.
What is the SMILES notation for 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine?
The canonical SMILES for 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine is CNc1cn(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine?
The InChIKey is HVCYEQIOCCVBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c1-12-8-5-15(14-9(8)10)7-2-6(11)3-13-4-7/h2-5,12H,1H3.
What are the key properties of 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine?
3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine has a molecular weight of 226.64 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(5-fluoro-3-pyridinyl)-N-methylpyrazol-4-amine is sourced from PubChem (CID 67499763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).