1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine

C9H8F2N4 — CID 134596486

IUPAC1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccnc(C(F)F)c2)n1
InChIInChI=1S/C9H8F2N4/c10-9(11)7-5-6(1-3-13-7)15-4-2-8(12)14-15/h1-5,9H,(H2,12,14)
InChIKeyGNJYUJWFBIUJMB-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.79
Rot. Bonds2

About 1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine

1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine (PubChem CID 134596486) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine
PubChem CID134596486
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccnc(C(F)F)c2)n1
InChIInChI=1S/C9H8F2N4/c10-9(11)7-5-6(1-3-13-7)15-4-2-8(12)14-15/h1-5,9H,(H2,12,14)
InChIKeyGNJYUJWFBIUJMB-UHFFFAOYSA-N
XLogP1.79
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine (CID 134596486) is 1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine is Nc1ccn(-c2ccnc(C(F)F)c2)n1.
What is the InChIKey of 1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine?
The InChIKey is GNJYUJWFBIUJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c10-9(11)7-5-6(1-3-13-7)15-4-2-8(12)14-15/h1-5,9H,(H2,12,14).
What are the key properties of 1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine?
1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine has a molecular weight of 210.19 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)-4-pyridinyl]pyrazol-3-amine is sourced from PubChem (CID 134596486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).