1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride

C10H11ClFN3 — CID 44630919

IUPAC1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C10H10FN3.ClH/c11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14;/h1-5,7H,6,12H2;1H
InChIKeyYXQWNRRPCMTCAR-UHFFFAOYSA-N
MW227.67 g/mol
LogP2.07
Rot. Bonds2

About 1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride

1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 44630919) has the molecular formula C10H11ClFN3 and a molecular weight of 227.67 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID44630919
Molecular FormulaC10H11ClFN3
Molecular Weight227.67 g/mol
Exact Mass227.06
IUPAC Name1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(Cc2cccc(F)c2)c1
InChIInChI=1S/C10H10FN3.ClH/c11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14;/h1-5,7H,6,12H2;1H
InChIKeyYXQWNRRPCMTCAR-UHFFFAOYSA-N
XLogP2.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride (CID 44630919) is 1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride is Cl.Nc1cnn(Cc2cccc(F)c2)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is YXQWNRRPCMTCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3.ClH/c11-9-3-1-2-8(4-9)6-14-7-10(12)5-13-14;/h1-5,7H,6,12H2;1H.
What are the key properties of 1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride?
1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 227.67 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 44630919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).