4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid

C15H17ClFmN3O3- — CID 176555149

IUPAC4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid
SMILESCc1cc(Cl)ccc1-c1cnn(C)c1C.O=[C-]NCC(=O)O.[Fm]
InChIInChI=1S/C12H13ClN2.C3H4NO3.Fm/c1-8-6-10(13)4-5-11(8)12-7-14-15(3)9(12)2;5-2-4-1-3(6)7;/h4-7H,1-3H3;1H2,(H,4,5)(H,6,7);/q;-1;
InChIKeyQFIVQLKABGHXNO-UHFFFAOYSA-N
MW579.77 g/mol
LogP2.09
Rot. Bonds4

About 4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid

4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid (PubChem CID 176555149) has the molecular formula C15H17ClFmN3O3- and a molecular weight of 579.77 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid
PubChem CID176555149
Molecular FormulaC15H17ClFmN3O3-
Molecular Weight579.77 g/mol
Exact Mass579.19
IUPAC Name4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid
SMILESCc1cc(Cl)ccc1-c1cnn(C)c1C.O=[C-]NCC(=O)O.[Fm]
InChIInChI=1S/C12H13ClN2.C3H4NO3.Fm/c1-8-6-10(13)4-5-11(8)12-7-14-15(3)9(12)2;5-2-4-1-3(6)7;/h4-7H,1-3H3;1H2,(H,4,5)(H,6,7);/q;-1;
InChIKeyQFIVQLKABGHXNO-UHFFFAOYSA-N
XLogP2.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500579.77
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid?
The IUPAC name of 4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid (CID 176555149) is 4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid.
What is the SMILES notation for 4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid?
The canonical SMILES for 4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid is Cc1cc(Cl)ccc1-c1cnn(C)c1C.O=[C-]NCC(=O)O.[Fm].
What is the InChIKey of 4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid?
The InChIKey is QFIVQLKABGHXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2.C3H4NO3.Fm/c1-8-6-10(13)4-5-11(8)12-7-14-15(3)9(12)2;5-2-4-1-3(6)7;/h4-7H,1-3H3;1H2,(H,4,5)(H,6,7);/q;-1;.
What are the key properties of 4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid?
4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid has a molecular weight of 579.77 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenyl)-1,5-dimethylpyrazole;fermium;2-(oxomethylamino)acetic acid is sourced from PubChem (CID 176555149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).