1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride

C10H11ClFN3 — CID 170911525

IUPAC1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride
SMILESCc1cn(-c2ccc(F)cc2)nc1N.Cl
InChIInChI=1S/C10H10FN3.ClH/c1-7-6-14(13-10(7)12)9-4-2-8(11)3-5-9;/h2-6H,1H3,(H2,12,13);1H
InChIKeyHWQGIFDYKBISOV-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.32
Rot. Bonds1

About 1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride

1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride (PubChem CID 170911525) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride
PubChem CID170911525
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride
SMILESCc1cn(-c2ccc(F)cc2)nc1N.Cl
InChIInChI=1S/C10H10FN3.ClH/c1-7-6-14(13-10(7)12)9-4-2-8(11)3-5-9;/h2-6H,1H3,(H2,12,13);1H
InChIKeyHWQGIFDYKBISOV-UHFFFAOYSA-N
XLogP2.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride (CID 170911525) is 1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride is Cc1cn(-c2ccc(F)cc2)nc1N.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride?
The InChIKey is HWQGIFDYKBISOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3.ClH/c1-7-6-14(13-10(7)12)9-4-2-8(11)3-5-9;/h2-6H,1H3,(H2,12,13);1H.
What are the key properties of 1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride?
1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride has a molecular weight of 227.67 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 170911525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).