4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine

C11H12ClFN4 — CID 83119919

IUPAC4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine
SMILESCc1nn(C(C)c2ccc(F)cn2)c(N)c1Cl
InChIInChI=1S/C11H12ClFN4/c1-6-10(12)11(14)17(16-6)7(2)9-4-3-8(13)5-15-9/h3-5,7H,14H2,1-2H3
InChIKeyCWMPVBGGJSASGN-UHFFFAOYSA-N
MW254.70 g/mol
LogP2.57
Rot. Bonds2

About 4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine

4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine (PubChem CID 83119919) has the molecular formula C11H12ClFN4 and a molecular weight of 254.70 g/mol. Its IUPAC name is 4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine
PubChem CID83119919
Molecular FormulaC11H12ClFN4
Molecular Weight254.70 g/mol
Exact Mass254.07
IUPAC Name4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine
SMILESCc1nn(C(C)c2ccc(F)cn2)c(N)c1Cl
InChIInChI=1S/C11H12ClFN4/c1-6-10(12)11(14)17(16-6)7(2)9-4-3-8(13)5-15-9/h3-5,7H,14H2,1-2H3
InChIKeyCWMPVBGGJSASGN-UHFFFAOYSA-N
XLogP2.57
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.70
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine?
The IUPAC name of 4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine (CID 83119919) is 4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine.
What is the SMILES notation for 4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine?
The canonical SMILES for 4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine is Cc1nn(C(C)c2ccc(F)cn2)c(N)c1Cl.
What is the InChIKey of 4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine?
The InChIKey is CWMPVBGGJSASGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN4/c1-6-10(12)11(14)17(16-6)7(2)9-4-3-8(13)5-15-9/h3-5,7H,14H2,1-2H3.
What are the key properties of 4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine?
4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine has a molecular weight of 254.70 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrazol-5-amine is sourced from PubChem (CID 83119919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).