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

C10H10ClFN4 — CID 67499669

IUPAC3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine
SMILESCCNc1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C10H10ClFN4/c1-2-14-9-6-16(15-10(9)11)8-3-7(12)4-13-5-8/h3-6,14H,2H2,1H3
InChIKeyMUCKYQHZILMOBM-UHFFFAOYSA-N
MW240.67 g/mol
LogP2.49
Rot. Bonds3

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

3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine (PubChem CID 67499669) has the molecular formula C10H10ClFN4 and a molecular weight of 240.67 g/mol. Its IUPAC name is 3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine
PubChem CID67499669
Molecular FormulaC10H10ClFN4
Molecular Weight240.67 g/mol
Exact Mass240.06
IUPAC Name3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine
SMILESCCNc1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C10H10ClFN4/c1-2-14-9-6-16(15-10(9)11)8-3-7(12)4-13-5-8/h3-6,14H,2H2,1H3
InChIKeyMUCKYQHZILMOBM-UHFFFAOYSA-N
XLogP2.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.67
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
The IUPAC name of 3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine (CID 67499669) is 3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine.
What is the SMILES notation for 3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
The canonical SMILES for 3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine is CCNc1cn(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of 3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
The InChIKey is MUCKYQHZILMOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4/c1-2-14-9-6-16(15-10(9)11)8-3-7(12)4-13-5-8/h3-6,14H,2H2,1H3.
What are the key properties of 3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine?
3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine has a molecular weight of 240.67 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-1-(5-fluoro-3-pyridinyl)pyrazol-4-amine is sourced from PubChem (CID 67499669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).