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

C10H8ClF3N4 — CID 62677167

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
SMILESCc1cn(-c2ncc(C(F)(F)F)cc2Cl)nc1N
InChIInChI=1S/C10H8ClF3N4/c1-5-4-18(17-8(5)15)9-7(11)2-6(3-16-9)10(12,13)14/h2-4H,1H3,(H2,15,17)
InChIKeyWCBVMDIFWYVNKV-UHFFFAOYSA-N
MW276.65 g/mol
LogP2.83
Rot. Bonds1

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine (PubChem CID 62677167) has the molecular formula C10H8ClF3N4 and a molecular weight of 276.65 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
PubChem CID62677167
Molecular FormulaC10H8ClF3N4
Molecular Weight276.65 g/mol
Exact Mass276.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine
SMILESCc1cn(-c2ncc(C(F)(F)F)cc2Cl)nc1N
InChIInChI=1S/C10H8ClF3N4/c1-5-4-18(17-8(5)15)9-7(11)2-6(3-16-9)10(12,13)14/h2-4H,1H3,(H2,15,17)
InChIKeyWCBVMDIFWYVNKV-UHFFFAOYSA-N
XLogP2.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine (CID 62677167) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine is Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)nc1N.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine?
The InChIKey is WCBVMDIFWYVNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4/c1-5-4-18(17-8(5)15)9-7(11)2-6(3-16-9)10(12,13)14/h2-4H,1H3,(H2,15,17).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine has a molecular weight of 276.65 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-methylpyrazol-3-amine is sourced from PubChem (CID 62677167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).