1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride

C9H8ClF3N4 — CID 90484283

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride
SMILESCl.Nc1ccn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C9H7F3N4.ClH/c10-9(11,12)6-1-2-8(14-5-6)16-4-3-7(13)15-16;/h1-5H,(H2,13,15);1H
InChIKeyGTIBEIUESWTFJP-UHFFFAOYSA-N
MW264.64 g/mol
LogP2.29
Rot. Bonds1

About 1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride

1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride (PubChem CID 90484283) has the molecular formula C9H8ClF3N4 and a molecular weight of 264.64 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride
PubChem CID90484283
Molecular FormulaC9H8ClF3N4
Molecular Weight264.64 g/mol
Exact Mass264.04
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride
SMILESCl.Nc1ccn(-c2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C9H7F3N4.ClH/c10-9(11,12)6-1-2-8(14-5-6)16-4-3-7(13)15-16;/h1-5H,(H2,13,15);1H
InChIKeyGTIBEIUESWTFJP-UHFFFAOYSA-N
XLogP2.29
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride (CID 90484283) is 1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride is Cl.Nc1ccn(-c2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride?
The InChIKey is GTIBEIUESWTFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4.ClH/c10-9(11,12)6-1-2-8(14-5-6)16-4-3-7(13)15-16;/h1-5H,(H2,13,15);1H.
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride?
1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride has a molecular weight of 264.64 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine;hydrochloride is sourced from PubChem (CID 90484283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).