3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride

C15H16ClN3O — CID 68540850

IUPAC3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride
SMILESCc1ccc(-n2nc(-c3ccoc3C)cc2N)cc1.Cl
InChIInChI=1S/C15H15N3O.ClH/c1-10-3-5-12(6-4-10)18-15(16)9-14(17-18)13-7-8-19-11(13)2;/h3-9H,16H2,1-2H3;1H
InChIKeyFXOAGCBCTLALCV-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.75
Rot. Bonds2

About 3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride

3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride (PubChem CID 68540850) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride
PubChem CID68540850
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride
SMILESCc1ccc(-n2nc(-c3ccoc3C)cc2N)cc1.Cl
InChIInChI=1S/C15H15N3O.ClH/c1-10-3-5-12(6-4-10)18-15(16)9-14(17-18)13-7-8-19-11(13)2;/h3-9H,16H2,1-2H3;1H
InChIKeyFXOAGCBCTLALCV-UHFFFAOYSA-N
XLogP3.75
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrazole_amino_A(1)', 'substructure': 'N/A'}

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Related Compounds

3-(5-Tert-butyl-2-methylfuran-3-yl)-1-(2-ethyl-6-methylphenyl)pyrazol-5-amine
CID 44526652
Methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
CID 162665882
4-[5-Azido-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
CID 162676072
4-[5-Amino-3-(furan-2-yl)pyrazol-1-yl]benzoic acid
CID 162677191
3-(Furan-2-yl)-1-phenyl-1h-pyrazol-5-amine
CID 12288137
1-(4-Fluorophenyl)-3-(furan-2-yl)pyrazol-5-amine
CID 16769813
3-(Furan-2-yl)-1-(4-methoxyphenyl)pyrazol-5-amine
CID 63173008
3-(Furan-2-yl)-1-(4-propan-2-ylphenyl)pyrazol-5-amine
CID 162668421
2-(3,5-dimethylphenyl)-5-(furan-2-yl)-2,3-dihydro-1H-pyrazol-3-imine
CID 16770114
1-(3,5-Bis(trifluoromethyl)phenyl)-3-(furan-2-yl)-1H-pyrazol-5-amine
CID 2742742
1-[3,5-Bis(trifluoromethyl)phenyl]-3-(5-tert-butyl-2-methylfuran-3-yl)pyrazol-5-amine
CID 2742754
2-[5-[(4-Fluoro-3-methoxyphenyl)methylamino]-3-(2-methylfuran-3-yl)pyrazol-1-yl]ethanol
CID 75388911

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride?
The IUPAC name of 3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride (CID 68540850) is 3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride.
What is the SMILES notation for 3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride?
The canonical SMILES for 3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride is Cc1ccc(-n2nc(-c3ccoc3C)cc2N)cc1.Cl.
What is the InChIKey of 3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride?
The InChIKey is FXOAGCBCTLALCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O.ClH/c1-10-3-5-12(6-4-10)18-15(16)9-14(17-18)13-7-8-19-11(13)2;/h3-9H,16H2,1-2H3;1H.
What are the key properties of 3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride?
3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride has a molecular weight of 289.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)-1-(4-methylphenyl)pyrazol-5-amine;hydrochloride is sourced from PubChem (CID 68540850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).